Browse entries in the PDBbind-CN Database
HEADER 5ML8_COMPLEX COMPND 5ML8_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 109 SER ALA LYS ASP GLU ARG ALA ARG GLU ILE LEU ARG GLY SEQRES 2 B 109 PHE LYS LEU ASN TRP MET ASN LEU ARG ASP ALA GLU THR SEQRES 3 B 109 GLY LYS ILE LEU TRP GLN GLY THR GLU ASP LEU SER VAL SEQRES 4 B 109 PRO GLY VAL GLU HIS GLU ALA ARG VAL PRO LYS LYS ILE SEQRES 5 B 109 LEU LYS CYS LYS ALA VAL SER ARG GLU LEU ASN PHE SER SEQRES 6 B 109 SER THR GLU GLN MET GLU LYS PHE ARG LEU GLU GLN LYS SEQRES 7 B 109 VAL TYR PHE LYS GLY GLN CYS LEU GLU GLU TRP PHE PHE SEQRES 8 B 109 GLU PHE GLY PHE VAL ILE PRO ASN SER THR ASN THR TRP SEQRES 9 B 109 GLN SER LEU ILE GLU SEQRES 1 B 34 MET MET PRO ALA SER VAL LEU THR GLY ASN VAL ILE ILE SEQRES 2 B 34 GLU THR LYS PHE PHE ASP ASP ASP LEU LEU VAL SER THR SEQRES 3 B 34 SER ARG VAL ARG LEU PHE TYR VAL HET V A 98 80 ATOM 1 N SER B 2 -53.715 3.118 -2.694 1.00 39.27 N ATOM 2 CA SER B 2 -52.878 2.783 -1.489 1.00 40.94 C ATOM 3 C SER B 2 -52.027 3.957 -0.945 1.00 38.50 C ATOM 4 O SER B 2 -51.556 4.810 -1.700 1.00 36.40 O ATOM 5 CB SER B 2 -51.965 1.600 -1.812 1.00 43.19 C ATOM 6 OG SER B 2 -50.848 1.553 -0.941 1.00 45.22 O ATOM 7 HG SER B 2 -50.279 0.778 -1.177 1.00 0.00 H ATOM 8 HN3 SER B 2 -53.095 3.426 -3.470 1.00 0.00 H ATOM 9 HN2 SER B 2 -54.377 3.883 -2.453 1.00 0.00 H ATOM 10 HN1 SER B 2 -54.249 2.276 -2.988 1.00 0.00 H ATOM 11 N ALA B 3 -51.819 3.971 0.367 1.00 37.43 N ATOM 12 CA ALA B 3 -51.086 5.063 1.024 1.00 40.92 C ATOM 13 C ALA B 3 -49.626 5.130 0.574 1.00 41.65 C ATOM 14 O ALA B 3 -49.081 6.210 0.392 1.00 42.09 O ATOM 15 CB ALA B 3 -51.175 4.941 2.552 1.00 39.34 C ATOM 16 H ALA B 3 -52.185 3.188 0.945 1.00 0.00 H ATOM 17 N LYS B 4 -49.011 3.970 0.384 1.00 43.99 N ATOM 18 CA LYS B 4 -47.629 3.886 -0.087 1.00 46.01 C ATOM 19 C LYS B 4 -47.455 4.435 -1.510 1.00 43.54 C ATOM 20 O LYS B 4 -46.461 5.103 -1.800 1.00 41.88 O ATOM 21 CB LYS B 4 -47.124 2.436 -0.006 1.00 49.27 C ATOM 22 CG LYS B 4 -46.647 2.024 1.377 1.00 52.83 C ATOM 23 CD LYS B 4 -46.434 0.520 1.456 1.00 60.12 C ATOM 24 CE LYS B 4 -46.341 0.047 2.904 1.00 66.00 C ATOM 25 NZ LYS B 4 -46.509 -1.436 3.011 1.00 68.05 N ATOM 26 HZ1 LYS B 4 -47.441 -1.706 2.636 1.00 0.00 H ATOM 27 HZ2 LYS B 4 -45.763 -1.909 2.462 1.00 0.00 H ATOM 28 HZ3 LYS B 4 -46.440 -1.720 4.009 1.00 0.00 H ATOM 29 H LYS B 4 -49.530 3.090 0.577 1.00 0.00 H ATOM 30 N ASP B 5 -48.409 4.161 -2.392 1.00 43.05 N ATOM 31 CA ASP B 5 -48.369 4.730 -3.760 1.00 46.59 C ATOM 32 C ASP B 5 -48.452 6.262 -3.759 1.00 42.61 C ATOM 33 O ASP B 5 -47.746 6.935 -4.505 1.00 36.15 O ATOM 34 CB ASP B 5 -49.506 4.175 -4.628 1.00 50.39 C ATOM 35 CG ASP B 5 -49.441 2.657 -4.784 1.00 59.99 C ATOM 36 OD1 ASP B 5 -48.327 2.090 -4.692 1.00 63.27 O ATOM 37 OD2 ASP B 5 -50.508 2.030 -4.995 1.00 69.27 O ATOM 38 H ASP B 5 -49.196 3.538 -2.119 1.00 0.00 H ATOM 39 N GLU B 6 -49.329 6.799 -2.916 1.00 40.69 N ATOM 40 CA GLU B 6 -49.520 8.231 -2.829 1.00 40.20 C ATOM 41 C GLU B 6 -48.285 8.895 -2.214 1.00 36.33 C ATOM 42 O GLU B 6 -47.885 9.980 -2.647 1.00 32.07 O ATOM 43 CB GLU B 6 -50.786 8.556 -2.029 1.00 43.05 C ATOM 44 CG GLU B 6 -51.148 10.035 -2.001 1.00 48.33 C ATOM 45 CD GLU B 6 -51.522 10.596 -3.376 1.00 52.98 C ATOM 46 OE1 GLU B 6 -52.014 9.819 -4.237 1.00 53.16 O ATOM 47 OE2 GLU B 6 -51.333 11.823 -3.580 1.00 52.79 O ATOM 48 H GLU B 6 -49.892 6.174 -2.304 1.00 0.00 H ATOM 49 N ARG B 7 -47.656 8.246 -1.237 1.00 33.29 N ATOM 50 CA ARG B 7 -46.475 8.851 -0.645 1.00 32.92 C ATOM 51 C ARG B 7 -45.312 8.931 -1.613 1.00 32.15 C ATOM 52 O ARG B 7 -44.601 9.943 -1.645 1.00 32.57 O ATOM 53 CB ARG B 7 -45.996 8.164 0.631 1.00 33.67 C ATOM 54 CG ARG B 7 -45.279 9.228 1.445 1.00 36.08 C ATOM 55 CD ARG B 7 -44.297 8.801 2.500 1.00 38.48 C ATOM 56 NE ARG B 7 -43.423 9.895 3.018 1.00 43.24 N ATOM 57 CZ ARG B 7 -43.534 11.236 2.863 1.00 40.11 C ATOM 58 NH1 ARG B 7 -44.505 11.854 2.190 1.00 37.52 N ATOM 59 NH2 ARG B 7 -42.617 12.011 3.436 1.00 41.17 N ATOM 60 HE ARG B 7 -42.608 9.581 3.582 1.00 0.00 H ATOM 61 HH12 ARG B 7 -44.511 12.892 2.122 1.00 0.00 H ATOM 62 HH11 ARG B 7 -45.256 11.298 1.733 1.00 0.00 H ATOM 63 HH22 ARG B 7 -42.674 13.045 3.336 1.00 0.00 H ATOM 64 HH21 ARG B 7 -41.843 11.583 3.984 1.00 0.00 H ATOM 65 H ARG B 7 -48.003 7.324 -0.904 1.00 0.00 H ATOM 66 N ALA B 8 -45.110 7.855 -2.370 1.00 30.48 N ATOM 67 CA ALA B 8 -44.062 7.782 -3.387 1.00 30.13 C ATOM 68 C ALA B 8 -44.158 8.932 -4.374 1.00 29.03 C ATOM 69 O ALA B 8 -43.140 9.520 -4.757 1.00 28.41 O ATOM 70 CB ALA B 8 -44.139 6.454 -4.126 1.00 29.78 C ATOM 71 H ALA B 8 -45.726 7.028 -2.232 1.00 0.00 H ATOM 72 N ARG B 9 -45.381 9.271 -4.756 1.00 28.78 N ATOM 73 CA ARG B 9 -45.597 10.386 -5.664 1.00 32.02 C ATOM 74 C ARG B 9 -45.371 11.739 -5.007 1.00 30.70 C ATOM 75 O ARG B 9 -44.948 12.670 -5.677 1.00 33.88 O ATOM 76 CB ARG B 9 -47.003 10.343 -6.236 1.00 36.59 C ATOM 77 CG ARG B 9 -47.320 9.119 -7.081 1.00 40.95 C ATOM 78 CD ARG B 9 -48.829 8.969 -7.187 1.00 48.45 C ATOM 79 NE ARG B 9 -49.220 8.201 -8.363 1.00 56.97 N ATOM 80 CZ ARG B 9 -50.413 8.262 -8.956 1.00 61.93 C ATOM 81 NH1 ARG B 9 -51.373 9.073 -8.498 1.00 64.38 N ATOM 82 NH2 ARG B 9 -50.643 7.511 -10.031 1.00 59.83 N ATOM 83 HE ARG B 9 -48.514 7.556 -8.771 1.00 0.00 H ATOM 84 HH12 ARG B 9 -52.297 9.106 -8.974 1.00 0.00 H ATOM 85 HH11 ARG B 9 -51.196 9.670 -7.665 1.00 0.00 H ATOM 86 HH22 ARG B 9 -51.569 7.549 -10.503 1.00 0.00 H ATOM 87 HH21 ARG B 9 -49.897 6.887 -10.398 1.00 0.00 H ATOM 88 H ARG B 9 -46.197 8.732 -4.402 1.00 0.00 H ATOM 89 N GLU B 10 -45.700 11.857 -3.720 1.00 28.92 N ATOM 90 CA GLU B 10 -45.447 13.075 -2.934 1.00 27.37 C ATOM 91 C GLU B 10 -43.957 13.335 -2.868 1.00 26.32 C ATOM 92 O GLU B 10 -43.495 14.438 -3.118 1.00 26.84 O ATOM 93 CB GLU B 10 -46.012 12.956 -1.504 1.00 26.59 C ATOM 94 H GLU B 10 -46.157 11.050 -3.250 1.00 0.00 H ATOM 95 N ILE B 11 -43.202 12.304 -2.531 1.00 26.87 N ATOM 96 CA ILE B 11 -41.751 12.413 -2.487 1.00 27.08 C ATOM 97 C ILE B 11 -41.219 12.740 -3.884 1.00 27.54 C ATOM 98 O ILE B 11 -40.332 13.574 -4.044 1.00 27.47 O ATOM 99 CB ILE B 11 -41.092 11.099 -2.029 1.00 26.82 C ATOM 100 CG1 ILE B 11 -41.510 10.725 -0.601 1.00 27.28 C ATOM 101 CG2 ILE B 11 -39.573 11.217 -2.116 1.00 27.08 C ATOM 102 CD1 ILE B 11 -41.114 9.301 -0.200 1.00 26.23 C ATOM 103 H ILE B 11 -43.653 11.398 -2.293 1.00 0.00 H ATOM 104 N LEU B 12 -41.720 12.036 -4.895 1.00 28.37 N ATOM 105 CA LEU B 12 -41.293 12.323 -6.245 1.00 27.65 C ATOM 106 C LEU B 12 -41.508 13.812 -6.529 1.00 27.38 C ATOM 107 O LEU B 12 -40.570 14.534 -6.892 1.00 28.33 O ATOM 108 CB LEU B 12 -42.043 11.467 -7.246 1.00 27.38 C ATOM 109 CG LEU B 12 -41.602 11.731 -8.698 1.00 28.70 C ATOM 110 CD1 LEU B 12 -40.073 11.741 -8.844 1.00 28.44 C ATOM 111 CD2 LEU B 12 -42.246 10.739 -9.663 1.00 27.78 C ATOM 112 H LEU B 12 -42.415 11.283 -4.715 1.00 0.00 H ATOM 113 N ARG B 13 -42.741 14.256 -6.319 1.00 25.58 N ATOM 114 CA ARG B 13 -43.148 15.642 -6.518 1.00 25.19 C ATOM 115 C ARG B 13 -42.254 16.691 -5.838 1.00 26.02 C ATOM 116 O ARG B 13 -41.996 17.767 -6.402 1.00 29.05 O ATOM 117 CB ARG B 13 -44.575 15.815 -6.022 1.00 24.96 C ATOM 118 CG ARG B 13 -44.985 17.265 -5.931 1.00 24.61 C ATOM 119 CD ARG B 13 -46.485 17.421 -5.776 1.00 24.07 C ATOM 120 NE ARG B 13 -46.757 18.841 -5.863 1.00 25.32 N ATOM 121 CZ ARG B 13 -46.946 19.518 -6.995 1.00 25.82 C ATOM 122 NH1 ARG B 13 -46.961 18.895 -8.172 1.00 27.40 N ATOM 123 NH2 ARG B 13 -47.141 20.824 -6.949 1.00 25.42 N ATOM 124 HE ARG B 13 -46.809 19.374 -4.972 1.00 0.00 H ATOM 125 HH12 ARG B 13 -47.110 19.438 -9.046 1.00 0.00 H ATOM 126 HH11 ARG B 13 -46.824 17.865 -8.217 1.00 0.00 H ATOM 127 HH22 ARG B 13 -47.289 21.359 -7.828 1.00 0.00 H ATOM 128 HH21 ARG B 13 -47.146 21.317 -6.033 1.00 0.00 H ATOM 129 H ARG B 13 -43.458 13.576 -5.994 1.00 0.00 H ATOM 130 N GLY B 14 -41.789 16.395 -4.635 1.00 24.08 N ATOM 131 CA GLY B 14 -40.937 17.315 -3.926 1.00 23.86 C ATOM 132 C GLY B 14 -39.464 17.098 -4.178 1.00 25.38 C ATOM 133 O GLY B 14 -38.641 17.768 -3.586 1.00 27.10 O ATOM 134 H GLY B 14 -42.042 15.487 -4.196 1.00 0.00 H ATOM 135 N PHE B 15 -39.110 16.176 -5.061 1.00 27.15 N ATOM 136 CA PHE B 15 -37.709 15.816 -5.242 1.00 28.22 C ATOM 137 C PHE B 15 -37.067 16.450 -6.489 1.00 29.02 C ATOM 138 O PHE B 15 -37.641 16.446 -7.566 1.00 28.23 O ATOM 139 CB PHE B 15 -37.568 14.291 -5.281 1.00 28.63 C ATOM 140 CG PHE B 15 -36.166 13.837 -5.505 1.00 28.94 C ATOM 141 CD1 PHE B 15 -35.310 13.665 -4.434 1.00 30.12 C ATOM 142 CD2 PHE B 15 -35.689 13.636 -6.792 1.00 28.56 C ATOM 143 CE1 PHE B 15 -33.994 13.271 -4.637 1.00 31.66 C ATOM 144 CE2 PHE B 15 -34.383 13.239 -7.007 1.00 29.86 C ATOM 145 CZ PHE B 15 -33.531 13.060 -5.928 1.00 31.37 C ATOM 146 H PHE B 15 -39.840 15.704 -5.632 1.00 0.00 H ATOM 147 N LYS B 16 -35.846 16.944 -6.326 1.00 31.91 N ATOM 148 CA LYS B 16 -35.120 17.640 -7.375 1.00 34.33 C ATOM 149 C LYS B 16 -33.612 17.319 -7.283 1.00 36.09 C ATOM 150 O LYS B 16 -33.006 17.445 -6.220 1.00 35.83 O ATOM 151 CB LYS B 16 -35.339 19.135 -7.181 1.00 37.16 C ATOM 152 CG LYS B 16 -34.690 20.037 -8.214 1.00 39.96 C ATOM 153 CD LYS B 16 -35.528 20.131 -9.473 1.00 42.34 C ATOM 154 CE LYS B 16 -34.667 20.431 -10.695 1.00 44.52 C ATOM 155 NZ LYS B 16 -33.907 21.697 -10.514 1.00 45.15 N ATOM 156 HZ1 LYS B 16 -34.573 22.483 -10.374 1.00 0.00 H ATOM 157 HZ2 LYS B 16 -33.289 21.613 -9.682 1.00 0.00 H ATOM 158 HZ3 LYS B 16 -33.330 21.877 -11.360 1.00 0.00 H ATOM 159 H LYS B 16 -35.386 16.827 -5.401 1.00 0.00 H ATOM 160 N LEU B 17 -33.012 16.888 -8.386 1.00 36.15 N ATOM 161 CA LEU B 17 -31.560 16.803 -8.487 1.00 35.93 C ATOM 162 C LEU B 17 -31.073 18.126 -9.073 1.00 35.33 C ATOM 163 O LEU B 17 -31.513 18.524 -10.143 1.00 34.39 O ATOM 164 CB LEU B 17 -31.168 15.655 -9.398 1.00 39.68 C ATOM 165 CG LEU B 17 -29.770 15.073 -9.231 1.00 44.42 C ATOM 166 CD1 LEU B 17 -29.689 14.235 -7.970 1.00 46.54 C ATOM 167 CD2 LEU B 17 -29.434 14.213 -10.434 1.00 47.23 C ATOM 168 H LEU B 17 -33.593 16.603 -9.200 1.00 0.00 H ATOM 169 N ASN B 18 -30.184 18.824 -8.377 1.00 34.11 N ATOM 170 CA ASN B 18 -29.788 20.162 -8.803 1.00 35.57 C ATOM 171 C ASN B 18 -28.507 20.166 -9.621 1.00 36.73 C ATOM 172 O ASN B 18 -28.381 20.935 -10.580 1.00 39.00 O ATOM 173 CB ASN B 18 -29.620 21.073 -7.600 1.00 36.12 C ATOM 174 CG ASN B 18 -30.826 21.058 -6.702 1.00 36.74 C ATOM 175 OD1 ASN B 18 -31.945 21.303 -7.150 1.00 40.92 O ATOM 176 ND2 ASN B 18 -30.614 20.746 -5.429 1.00 36.52 N ATOM 177 HD22 ASN B 18 -29.649 20.547 -5.096 1.00 0.00 H ATOM 178 HD21 ASN B 18 -31.413 20.701 -4.765 1.00 0.00 H ATOM 179 H ASN B 18 -29.765 18.413 -7.519 1.00 0.00 H ATOM 180 N TRP B 19 -27.550 19.333 -9.225 1.00 35.00 N ATOM 181 CA TRP B 19 -26.300 19.201 -9.964 1.00 33.56 C ATOM 182 C TRP B 19 -25.609 17.939 -9.534 1.00 32.13 C ATOM 183 O TRP B 19 -25.980 17.327 -8.534 1.00 29.57 O ATOM 184 CB TRP B 19 -25.363 20.418 -9.799 1.00 33.03 C ATOM 185 CG TRP B 19 -24.954 20.732 -8.396 1.00 34.33 C ATOM 186 CD1 TRP B 19 -25.509 21.675 -7.574 1.00 35.73 C ATOM 187 CD2 TRP B 19 -23.901 20.124 -7.645 1.00 34.50 C ATOM 188 NE1 TRP B 19 -24.871 21.687 -6.362 1.00 34.54 N ATOM 189 CE2 TRP B 19 -23.879 20.745 -6.377 1.00 35.02 C ATOM 190 CE3 TRP B 19 -22.976 19.115 -7.916 1.00 34.71 C ATOM 191 CZ2 TRP B 19 -22.972 20.384 -5.380 1.00 35.19 C ATOM 192 CZ3 TRP B 19 -22.080 18.755 -6.924 1.00 36.58 C ATOM 193 CH2 TRP B 19 -22.083 19.395 -5.668 1.00 35.13 C ATOM 194 HE1 TRP B 19 -25.103 22.310 -5.562 1.00 0.00 H ATOM 195 H TRP B 19 -27.696 18.762 -8.368 1.00 0.00 H ATOM 196 N MET B 20 -24.595 17.564 -10.296 1.00 32.49 N ATOM 197 CA MET B 20 -23.943 16.306 -10.100 1.00 35.75 C ATOM 198 C MET B 20 -22.582 16.335 -10.776 1.00 35.58 C ATOM 199 O MET B 20 -22.373 17.077 -11.751 1.00 35.34 O ATOM 200 CB MET B 20 -24.856 15.258 -10.712 1.00 42.79 C ATOM 201 CG MET B 20 -24.273 13.882 -10.926 1.00 50.51 C ATOM 202 SD MET B 20 -25.551 12.716 -11.445 1.00 61.70 S ATOM 203 CE MET B 20 -26.611 13.719 -12.499 1.00 60.16 C ATOM 204 H MET B 20 -24.265 18.196 -11.053 1.00 0.00 H ATOM 205 N ASN B 21 -21.646 15.545 -10.265 1.00 35.72 N ATOM 206 CA ASN B 21 -20.360 15.395 -10.944 1.00 36.77 C ATOM 207 C ASN B 21 -19.620 14.089 -10.662 1.00 35.46 C ATOM 208 O ASN B 21 -19.968 13.337 -9.749 1.00 33.76 O ATOM 209 CB ASN B 21 -19.462 16.614 -10.691 1.00 38.48 C ATOM 210 CG ASN B 21 -18.955 16.691 -9.271 1.00 41.60 C ATOM 211 OD1 ASN B 21 -18.668 15.675 -8.647 1.00 44.03 O ATOM 212 ND2 ASN B 21 -18.821 17.911 -8.756 1.00 42.57 N ATOM 213 HD22 ASN B 21 -19.077 18.745 -9.322 1.00 0.00 H ATOM 214 HD21 ASN B 21 -18.460 18.030 -7.788 1.00 0.00 H ATOM 215 H ASN B 21 -21.828 15.031 -9.379 1.00 0.00 H ATOM 216 N LEU B 22 -18.632 13.801 -11.508 1.00 36.53 N ATOM 217 CA LEU B 22 -17.770 12.636 -11.329 1.00 37.28 C ATOM 218 C LEU B 22 -16.320 13.094 -11.344 1.00 38.28 C ATOM 219 O LEU B 22 -15.949 13.990 -12.102 1.00 38.56 O ATOM 220 CB LEU B 22 -18.014 11.588 -12.418 1.00 37.61 C ATOM 221 CG LEU B 22 -19.474 11.169 -12.670 1.00 38.44 C ATOM 222 CD1 LEU B 22 -19.624 10.473 -14.019 1.00 38.76 C ATOM 223 CD2 LEU B 22 -20.022 10.299 -11.549 1.00 37.56 C ATOM 224 H LEU B 22 -18.469 14.427 -12.323 1.00 0.00 H ATOM 225 N ARG B 23 -15.522 12.500 -10.471 1.00 41.36 N ATOM 226 CA ARG B 23 -14.096 12.734 -10.432 1.00 46.87 C ATOM 227 C ARG B 23 -13.405 11.388 -10.398 1.00 50.24 C ATOM 228 O ARG B 23 -13.977 10.404 -9.916 1.00 47.65 O ATOM 229 CB ARG B 23 -13.693 13.512 -9.179 1.00 51.71 C ATOM 230 CG ARG B 23 -14.583 14.691 -8.794 1.00 54.83 C ATOM 231 CD ARG B 23 -14.061 15.335 -7.510 1.00 56.08 C ATOM 232 NE ARG B 23 -15.005 16.285 -6.928 1.00 61.30 N ATOM 233 CZ ARG B 23 -15.121 17.574 -7.263 1.00 63.77 C ATOM 234 NH1 ARG B 23 -14.351 18.124 -8.194 1.00 62.49 N ATOM 235 NH2 ARG B 23 -16.024 18.330 -6.653 1.00 68.01 N ATOM 236 HE ARG B 23 -15.643 15.928 -6.188 1.00 0.00 H ATOM 237 HH12 ARG B 23 -14.463 19.130 -8.434 1.00 0.00 H ATOM 238 HH11 ARG B 23 -13.635 17.549 -8.683 1.00 0.00 H ATOM 239 HH22 ARG B 23 -16.120 19.334 -6.908 1.00 0.00 H ATOM 240 HH21 ARG B 23 -16.636 17.919 -5.919 1.00 0.00 H ATOM 241 H ARG B 23 -15.938 11.838 -9.785 1.00 0.00 H ATOM 242 N ASP B 24 -12.177 11.347 -10.913 1.00 54.93 N ATOM 243 CA ASP B 24 -11.302 10.195 -10.721 1.00 58.45 C ATOM 244 C ASP B 24 -11.020 10.107 -9.227 1.00 55.20 C ATOM 245 O ASP B 24 -10.618 11.084 -8.615 1.00 52.47 O ATOM 246 CB ASP B 24 -9.999 10.384 -11.515 1.00 64.19 C ATOM 247 CG ASP B 24 -9.048 9.183 -11.418 1.00 67.62 C ATOM 248 OD1 ASP B 24 -9.434 8.116 -10.892 1.00 74.34 O ATOM 249 OD2 ASP B 24 -7.897 9.312 -11.886 1.00 68.08 O ATOM 250 H ASP B 24 -11.833 12.157 -11.467 1.00 0.00 H ATOM 251 N ALA B 25 -11.260 8.947 -8.633 1.00 56.90 N ATOM 252 CA ALA B 25 -11.030 8.775 -7.199 1.00 58.96 C ATOM 253 C ALA B 25 -9.558 9.037 -6.826 1.00 63.50 C ATOM 254 O ALA B 25 -9.285 9.689 -5.822 1.00 67.78 O ATOM 255 CB ALA B 25 -11.455 7.383 -6.756 1.00 56.64 C ATOM 256 H ALA B 25 -11.617 8.148 -9.194 1.00 0.00 H ATOM 257 N GLU B 26 -8.622 8.548 -7.642 1.00 62.45 N ATOM 258 CA GLU B 26 -7.192 8.710 -7.362 1.00 64.40 C ATOM 259 C GLU B 26 -6.731 10.176 -7.438 1.00 64.44 C ATOM 260 O GLU B 26 -6.140 10.682 -6.485 1.00 64.48 O ATOM 261 CB GLU B 26 -6.363 7.839 -8.302 1.00 64.35 C ATOM 262 H GLU B 26 -8.915 8.038 -8.500 1.00 0.00 H ATOM 263 N THR B 27 -7.018 10.852 -8.553 1.00 63.35 N ATOM 264 CA THR B 27 -6.558 12.238 -8.770 1.00 65.24 C ATOM 265 C THR B 27 -7.496 13.341 -8.216 1.00 65.48 C ATOM 266 O THR B 27 -7.048 14.463 -7.958 1.00 64.55 O ATOM 267 CB THR B 27 -6.274 12.525 -10.272 1.00 67.35 C ATOM 268 OG1 THR B 27 -7.491 12.492 -11.033 1.00 66.67 O ATOM 269 CG2 THR B 27 -5.285 11.506 -10.846 1.00 68.29 C ATOM 270 HG1 THR B 27 -7.906 11.597 -10.950 1.00 0.00 H ATOM 271 H THR B 27 -7.583 10.388 -9.292 1.00 0.00 H ATOM 272 N GLY B 28 -8.782 13.030 -8.042 1.00 63.04 N ATOM 273 CA GLY B 28 -9.773 14.009 -7.573 1.00 60.37 C ATOM 274 C GLY B 28 -10.171 15.000 -8.654 1.00 60.15 C ATOM 275 O GLY B 28 -10.787 16.038 -8.376 1.00 56.56 O ATOM 276 H GLY B 28 -9.095 12.059 -8.246 1.00 0.00 H ATOM 277 N LYS B 29 -9.838 14.653 -9.893 1.00 60.51 N ATOM 278 CA LYS B 29 -9.967 15.551 -11.033 1.00 63.97 C ATOM 279 C LYS B 29 -11.326 15.313 -11.719 1.00 60.14 C ATOM 280 O LYS B 29 -11.809 14.181 -11.793 1.00 57.13 O ATOM 281 CB LYS B 29 -8.793 15.307 -11.994 1.00 66.37 C ATOM 282 CG LYS B 29 -8.152 16.563 -12.577 1.00 71.08 C ATOM 283 CD LYS B 29 -6.709 16.285 -12.985 1.00 73.58 C ATOM 284 CE LYS B 29 -6.141 17.374 -13.885 1.00 77.50 C ATOM 285 NZ LYS B 29 -4.720 17.108 -14.254 1.00 76.33 N ATOM 286 HZ1 LYS B 29 -4.141 17.064 -13.391 1.00 0.00 H ATOM 287 HZ2 LYS B 29 -4.658 16.202 -14.761 1.00 0.00 H ATOM 288 HZ3 LYS B 29 -4.373 17.873 -14.867 1.00 0.00 H ATOM 289 H LYS B 29 -9.468 13.695 -10.057 1.00 0.00 H ATOM 290 N ILE B 30 -11.934 16.384 -12.217 1.00 56.85 N ATOM 291 CA ILE B 30 -13.318 16.326 -12.678 1.00 56.44 C ATOM 292 C ILE B 30 -13.422 15.716 -14.071 1.00 56.34 C ATOM 293 O ILE B 30 -12.938 16.294 -15.047 1.00 53.12 O ATOM 294 CB ILE B 30 -13.979 17.717 -12.672 1.00 56.66 C ATOM 295 CG1 ILE B 30 -14.131 18.208 -11.228 1.00 58.07 C ATOM 296 CG2 ILE B 30 -15.338 17.665 -13.362 1.00 59.98 C ATOM 297 CD1 ILE B 30 -14.757 19.585 -11.067 1.00 58.51 C ATOM 298 H ILE B 30 -11.413 17.282 -12.280 1.00 0.00 H ATOM 299 N LEU B 31 -14.065 14.554 -14.155 1.00 53.75 N ATOM 300 CA LEU B 31 -14.306 13.904 -15.442 1.00 53.49 C ATOM 301 C LEU B 31 -15.537 14.480 -16.134 1.00 50.54 C ATOM 302 O LEU B 31 -15.544 14.676 -17.348 1.00 53.39 O ATOM 303 CB LEU B 31 -14.507 12.409 -15.248 1.00 55.76 C ATOM 304 CG LEU B 31 -13.396 11.636 -14.533 1.00 59.05 C ATOM 305 CD1 LEU B 31 -13.945 10.328 -13.972 1.00 60.53 C ATOM 306 CD2 LEU B 31 -12.216 11.380 -15.460 1.00 58.92 C ATOM 307 H LEU B 31 -14.404 14.097 -13.284 1.00 0.00 H ATOM 308 N TRP B 32 -16.574 14.749 -15.351 1.00 46.77 N ATOM 309 CA TRP B 32 -17.882 15.118 -15.869 1.00 42.21 C ATOM 310 C TRP B 32 -18.649 15.896 -14.803 1.00 41.78 C ATOM 311 O TRP B 32 -18.522 15.631 -13.611 1.00 37.77 O ATOM 312 CB TRP B 32 -18.672 13.850 -16.232 1.00 40.72 C ATOM 313 CG TRP B 32 -20.003 14.106 -16.892 1.00 39.21 C ATOM 314 CD1 TRP B 32 -20.242 14.173 -18.223 1.00 40.24 C ATOM 315 CD2 TRP B 32 -21.262 14.325 -16.252 1.00 39.50 C ATOM 316 NE1 TRP B 32 -21.570 14.432 -18.466 1.00 39.76 N ATOM 317 CE2 TRP B 32 -22.221 14.527 -17.269 1.00 41.02 C ATOM 318 CE3 TRP B 32 -21.676 14.377 -14.923 1.00 41.23 C ATOM 319 CZ2 TRP B 32 -23.568 14.772 -16.996 1.00 41.26 C ATOM 320 CZ3 TRP B 32 -23.019 14.630 -14.654 1.00 41.63 C ATOM 321 CH2 TRP B 32 -23.943 14.823 -15.685 1.00 41.56 C ATOM 322 HE1 TRP B 32 -22.006 14.538 -19.404 1.00 0.00 H ATOM 323 H TRP B 32 -16.446 14.693 -14.320 1.00 0.00 H ATOM 324 N GLN B 33 -19.454 16.851 -15.236 1.00 42.89 N ATOM 325 CA GLN B 33 -20.383 17.494 -14.336 1.00 47.79 C ATOM 326 C GLN B 33 -21.584 17.966 -15.117 1.00 47.06 C ATOM 327 O GLN B 33 -21.528 18.098 -16.336 1.00 46.27 O ATOM 328 CB GLN B 33 -19.714 18.638 -13.580 1.00 51.32 C ATOM 329 CG GLN B 33 -19.268 19.798 -14.448 1.00 56.15 C ATOM 330 CD GLN B 33 -18.212 20.671 -13.776 1.00 60.42 C ATOM 331 OE1 GLN B 33 -17.671 20.324 -12.724 1.00 62.29 O ATOM 332 NE2 GLN B 33 -17.915 21.811 -14.391 1.00 60.97 N ATOM 333 HE22 GLN B 33 -18.396 22.064 -15.277 1.00 0.00 H ATOM 334 HE21 GLN B 33 -17.201 22.450 -13.986 1.00 0.00 H ATOM 335 H GLN B 33 -19.418 17.142 -16.234 1.00 0.00 H ATOM 336 N GLY B 34 -22.686 18.169 -14.412 1.00 46.54 N ATOM 337 CA GLY B 34 -23.936 18.532 -15.061 1.00 44.96 C ATOM 338 C GLY B 34 -24.978 19.012 -14.070 1.00 44.19 C ATOM 339 O GLY B 34 -24.914 18.715 -12.873 1.00 40.36 O ATOM 340 H GLY B 34 -22.657 18.067 -13.377 1.00 0.00 H ATOM 341 N THR B 35 -25.932 19.771 -14.590 1.00 45.41 N ATOM 342 CA THR B 35 -27.084 20.231 -13.832 1.00 45.75 C ATOM 343 C THR B 35 -28.372 19.772 -14.512 1.00 45.24 C ATOM 344 O THR B 35 -29.447 20.246 -14.189 1.00 45.44 O ATOM 345 CB THR B 35 -27.050 21.764 -13.710 1.00 46.41 C ATOM 346 OG1 THR B 35 -27.102 22.351 -15.011 1.00 44.83 O ATOM 347 CG2 THR B 35 -25.755 22.205 -13.052 1.00 46.89 C ATOM 348 HG1 THR B 35 -27.080 23.337 -14.928 1.00 0.00 H ATOM 349 H THR B 35 -25.853 20.051 -15.588 1.00 0.00 H ATOM 350 N GLU B 36 -28.258 18.842 -15.452 1.00 48.00 N ATOM 351 CA GLU B 36 -29.426 18.206 -16.030 1.00 52.61 C ATOM 352 C GLU B 36 -29.903 17.214 -14.975 1.00 51.00 C ATOM 353 O GLU B 36 -29.122 16.375 -14.512 1.00 57.29 O ATOM 354 CB GLU B 36 -29.066 17.485 -17.346 1.00 59.63 C ATOM 355 CG GLU B 36 -30.208 17.390 -18.365 1.00 67.02 C ATOM 356 CD GLU B 36 -30.014 16.284 -19.407 1.00 73.30 C ATOM 357 OE1 GLU B 36 -28.974 16.288 -20.121 1.00 72.01 O ATOM 358 OE2 GLU B 36 -30.916 15.411 -19.515 1.00 70.04 O ATOM 359 H GLU B 36 -27.311 18.564 -15.781 1.00 0.00 H ATOM 360 N ASP B 37 -31.166 17.332 -14.575 1.00 47.25 N ATOM 361 CA ASP B 37 -31.792 16.404 -13.620 1.00 45.32 C ATOM 362 C ASP B 37 -32.039 15.037 -14.305 1.00 43.76 C ATOM 363 O ASP B 37 -33.035 14.846 -14.985 1.00 42.84 O ATOM 364 CB ASP B 37 -33.101 17.025 -13.097 1.00 43.51 C ATOM 365 CG ASP B 37 -33.714 16.272 -11.914 1.00 47.57 C ATOM 366 OD1 ASP B 37 -33.390 15.075 -11.677 1.00 47.64 O ATOM 367 OD2 ASP B 37 -34.561 16.901 -11.221 1.00 47.23 O ATOM 368 H ASP B 37 -31.736 18.115 -14.954 1.00 0.00 H ATOM 369 N LEU B 38 -31.116 14.098 -14.119 1.00 43.39 N ATOM 370 CA LEU B 38 -31.194 12.780 -14.768 1.00 41.12 C ATOM 371 C LEU B 38 -32.100 11.829 -14.017 1.00 38.72 C ATOM 372 O LEU B 38 -32.342 10.724 -14.478 1.00 40.56 O ATOM 373 CB LEU B 38 -29.799 12.158 -14.895 1.00 41.10 C ATOM 374 CG LEU B 38 -28.782 12.982 -15.696 1.00 41.17 C ATOM 375 CD1 LEU B 38 -27.442 12.273 -15.728 1.00 43.92 C ATOM 376 CD2 LEU B 38 -29.244 13.250 -17.114 1.00 40.98 C ATOM 377 H LEU B 38 -30.311 14.302 -13.493 1.00 0.00 H ATOM 378 N SER B 39 -32.603 12.256 -12.863 1.00 38.07 N ATOM 379 CA SER B 39 -33.574 11.473 -12.109 1.00 37.41 C ATOM 380 C SER B 39 -34.958 11.465 -12.774 1.00 35.83 C ATOM 381 O SER B 39 -35.810 10.649 -12.426 1.00 37.25 O ATOM 382 CB SER B 39 -33.714 12.030 -10.682 1.00 38.40 C ATOM 383 OG SER B 39 -34.466 13.249 -10.650 1.00 38.95 O ATOM 384 HG SER B 39 -34.010 13.931 -11.204 1.00 0.00 H ATOM 385 H SER B 39 -32.295 13.175 -12.487 1.00 0.00 H ATOM 386 N VAL B 40 -35.185 12.369 -13.719 1.00 34.53 N ATOM 387 CA VAL B 40 -36.536 12.591 -14.258 1.00 34.84 C ATOM 388 C VAL B 40 -37.033 11.366 -15.034 1.00 33.07 C ATOM 389 O VAL B 40 -36.467 11.024 -16.051 1.00 33.39 O ATOM 390 CB VAL B 40 -36.585 13.876 -15.123 1.00 33.30 C ATOM 391 CG1 VAL B 40 -37.913 14.016 -15.830 1.00 32.76 C ATOM 392 CG2 VAL B 40 -36.327 15.093 -14.239 1.00 33.31 C ATOM 393 H VAL B 40 -34.391 12.932 -14.086 1.00 0.00 H ATOM 394 N PRO B 41 -38.080 10.694 -14.536 1.00 32.04 N ATOM 395 CA PRO B 41 -38.595 9.512 -15.221 1.00 32.76 C ATOM 396 C PRO B 41 -39.365 9.833 -16.488 1.00 35.22 C ATOM 397 O PRO B 41 -39.799 10.975 -16.683 1.00 38.30 O ATOM 398 CB PRO B 41 -39.546 8.889 -14.197 1.00 32.57 C ATOM 399 CG PRO B 41 -39.960 9.999 -13.319 1.00 32.88 C ATOM 400 CD PRO B 41 -38.850 11.015 -13.323 1.00 32.50 C ATOM 401 N GLY B 42 -39.524 8.818 -17.337 1.00 38.17 N ATOM 402 CA GLY B 42 -40.367 8.896 -18.543 1.00 40.86 C ATOM 403 C GLY B 42 -39.677 9.450 -19.777 1.00 43.27 C ATOM 404 O GLY B 42 -40.307 9.612 -20.824 1.00 45.40 O ATOM 405 H GLY B 42 -39.028 7.926 -17.138 1.00 0.00 H ATOM 406 N VAL B 43 -38.378 9.703 -19.645 1.00 44.96 N ATOM 407 CA VAL B 43 -37.575 10.423 -20.622 1.00 46.36 C ATOM 408 C VAL B 43 -36.268 9.667 -20.772 1.00 44.97 C ATOM 409 O VAL B 43 -35.685 9.248 -19.778 1.00 42.48 O ATOM 410 CB VAL B 43 -37.246 11.839 -20.087 1.00 50.92 C ATOM 411 CG1 VAL B 43 -36.261 12.568 -20.994 1.00 52.14 C ATOM 412 CG2 VAL B 43 -38.521 12.648 -19.917 1.00 52.86 C ATOM 413 H VAL B 43 -37.903 9.363 -18.784 1.00 0.00 H ATOM 414 N GLU B 44 -35.786 9.486 -21.993 1.00 46.48 N ATOM 415 CA GLU B 44 -34.482 8.864 -22.159 1.00 47.06 C ATOM 416 C GLU B 44 -33.441 9.973 -22.149 1.00 42.78 C ATOM 417 O GLU B 44 -33.258 10.668 -23.137 1.00 44.71 O ATOM 418 CB GLU B 44 -34.399 8.029 -23.435 1.00 52.16 C ATOM 419 CG GLU B 44 -33.148 7.148 -23.506 1.00 58.06 C ATOM 420 CD GLU B 44 -32.945 6.505 -24.875 1.00 61.92 C ATOM 421 OE1 GLU B 44 -33.852 5.793 -25.349 1.00 67.90 O ATOM 422 OE2 GLU B 44 -31.878 6.717 -25.487 1.00 59.81 O ATOM 423 H GLU B 44 -36.335 9.786 -22.824 1.00 0.00 H ATOM 424 N HIS B 45 -32.778 10.138 -21.012 1.00 37.53 N ATOM 425 CA HIS B 45 -31.688 11.076 -20.885 1.00 34.84 C ATOM 426 C HIS B 45 -30.455 10.578 -21.619 1.00 34.12 C ATOM 427 O HIS B 45 -30.348 9.404 -21.942 1.00 37.55 O ATOM 428 CB HIS B 45 -31.320 11.287 -19.424 1.00 34.05 C ATOM 429 CG HIS B 45 -32.470 11.679 -18.555 1.00 34.09 C ATOM 430 ND1 HIS B 45 -32.996 12.956 -18.542 1.00 33.91 N ATOM 431 CD2 HIS B 45 -33.191 10.963 -17.662 1.00 32.35 C ATOM 432 CE1 HIS B 45 -33.985 13.009 -17.670 1.00 31.83 C ATOM 433 NE2 HIS B 45 -34.122 11.812 -17.123 1.00 33.01 N ATOM 434 H HIS B 45 -33.053 9.572 -20.184 1.00 0.00 H ATOM 435 N GLU B 46 -29.528 11.494 -21.864 1.00 34.70 N ATOM 436 CA GLU B 46 -28.294 11.222 -22.595 1.00 34.95 C ATOM 437 C GLU B 46 -27.144 11.903 -21.896 1.00 32.75 C ATOM 438 O GLU B 46 -27.285 12.988 -21.378 1.00 31.41 O ATOM 439 CB GLU B 46 -28.362 11.785 -24.006 1.00 35.88 C ATOM 440 CG GLU B 46 -29.508 11.233 -24.825 1.00 39.79 C ATOM 441 CD GLU B 46 -29.422 11.631 -26.290 1.00 43.22 C ATOM 442 OE1 GLU B 46 -28.967 12.771 -26.571 1.00 42.52 O ATOM 443 OE2 GLU B 46 -29.803 10.791 -27.148 1.00 45.16 O ATOM 444 H GLU B 46 -29.689 12.461 -21.516 1.00 0.00 H ATOM 445 N ALA B 47 -25.987 11.280 -21.901 1.00 31.64 N ATOM 446 CA ALA B 47 -24.854 11.924 -21.300 1.00 32.27 C ATOM 447 C ALA B 47 -23.597 11.522 -22.027 1.00 31.46 C ATOM 448 O ALA B 47 -23.426 10.379 -22.394 1.00 31.06 O ATOM 449 CB ALA B 47 -24.773 11.571 -19.816 1.00 31.42 C ATOM 450 H ALA B 47 -25.894 10.338 -22.332 1.00 0.00 H ATOM 451 N ARG B 48 -22.724 12.489 -22.226 1.00 34.51 N ATOM 452 CA ARG B 48 -21.467 12.270 -22.895 1.00 38.07 C ATOM 453 C ARG B 48 -20.404 12.300 -21.816 1.00 35.43 C ATOM 454 O ARG B 48 -20.212 13.311 -21.180 1.00 33.25 O ATOM 455 CB ARG B 48 -21.231 13.370 -23.931 1.00 42.18 C ATOM 456 CG ARG B 48 -22.404 13.592 -24.895 1.00 48.47 C ATOM 457 CD ARG B 48 -22.383 14.975 -25.542 1.00 53.11 C ATOM 458 NE ARG B 48 -21.029 15.313 -25.978 1.00 59.07 N ATOM 459 CZ ARG B 48 -20.652 16.478 -26.500 1.00 62.79 C ATOM 460 NH1 ARG B 48 -21.533 17.459 -26.696 1.00 64.74 N ATOM 461 NH2 ARG B 48 -19.375 16.648 -26.853 1.00 59.27 N ATOM 462 HE ARG B 48 -20.298 14.581 -25.871 1.00 0.00 H ATOM 463 HH12 ARG B 48 -21.222 18.363 -27.105 1.00 0.00 H ATOM 464 HH11 ARG B 48 -22.531 17.320 -26.440 1.00 0.00 H ATOM 465 HH22 ARG B 48 -19.065 17.552 -27.262 1.00 0.00 H ATOM 466 HH21 ARG B 48 -18.691 15.876 -26.719 1.00 0.00 H ATOM 467 H ARG B 48 -22.951 13.446 -21.887 1.00 0.00 H ATOM 468 N VAL B 49 -19.742 11.175 -21.596 1.00 35.97 N ATOM 469 CA VAL B 49 -18.651 11.102 -20.641 1.00 36.84 C ATOM 470 C VAL B 49 -17.351 10.798 -21.369 1.00 37.23 C ATOM 471 O VAL B 49 -17.375 10.154 -22.408 1.00 37.32 O ATOM 472 CB VAL B 49 -18.893 10.026 -19.571 1.00 36.77 C ATOM 473 CG1 VAL B 49 -20.166 10.333 -18.821 1.00 38.38 C ATOM 474 CG2 VAL B 49 -18.961 8.642 -20.178 1.00 36.46 C ATOM 475 H VAL B 49 -20.011 10.319 -22.122 1.00 0.00 H ATOM 476 N PRO B 50 -16.217 11.267 -20.830 1.00 37.74 N ATOM 477 CA PRO B 50 -14.930 10.957 -21.450 1.00 39.18 C ATOM 478 C PRO B 50 -14.564 9.489 -21.303 1.00 40.03 C ATOM 479 O PRO B 50 -14.650 8.937 -20.214 1.00 38.15 O ATOM 480 CB PRO B 50 -13.937 11.843 -20.688 1.00 39.93 C ATOM 481 CG PRO B 50 -14.611 12.144 -19.394 1.00 40.19 C ATOM 482 CD PRO B 50 -16.081 12.167 -19.674 1.00 38.08 C ATOM 483 N LYS B 51 -14.146 8.875 -22.403 1.00 43.03 N ATOM 484 CA LYS B 51 -13.810 7.460 -22.432 1.00 43.66 C ATOM 485 C LYS B 51 -12.759 7.015 -21.418 1.00 43.82 C ATOM 486 O LYS B 51 -12.789 5.867 -20.989 1.00 47.34 O ATOM 487 CB LYS B 51 -13.386 7.048 -23.847 1.00 48.66 C ATOM 488 CG LYS B 51 -12.110 7.678 -24.385 1.00 50.34 C ATOM 489 CD LYS B 51 -11.983 7.452 -25.891 1.00 54.71 C ATOM 490 CE LYS B 51 -12.813 8.475 -26.670 1.00 59.32 C ATOM 491 NZ LYS B 51 -13.225 8.102 -28.061 1.00 59.38 N ATOM 492 HZ1 LYS B 51 -12.377 7.932 -28.639 1.00 0.00 H ATOM 493 HZ2 LYS B 51 -13.803 7.238 -28.030 1.00 0.00 H ATOM 494 HZ3 LYS B 51 -13.780 8.877 -28.477 1.00 0.00 H ATOM 495 H LYS B 51 -14.055 9.428 -23.279 1.00 0.00 H ATOM 496 N LYS B 52 -11.848 7.906 -21.024 1.00 42.66 N ATOM 497 CA LYS B 52 -10.838 7.574 -20.014 1.00 42.47 C ATOM 498 C LYS B 52 -11.440 7.159 -18.674 1.00 43.04 C ATOM 499 O LYS B 52 -10.801 6.449 -17.906 1.00 48.88 O ATOM 500 CB LYS B 52 -9.856 8.727 -19.797 1.00 42.31 C ATOM 501 CG LYS B 52 -10.501 10.077 -19.547 1.00 43.69 C ATOM 502 CD LYS B 52 -9.643 10.920 -18.621 1.00 43.80 C ATOM 503 CE LYS B 52 -9.584 12.362 -19.085 1.00 43.48 C ATOM 504 NZ LYS B 52 -10.944 12.957 -19.167 1.00 43.96 N ATOM 505 HZ1 LYS B 52 -11.519 12.414 -19.843 1.00 0.00 H ATOM 506 HZ2 LYS B 52 -11.391 12.928 -18.228 1.00 0.00 H ATOM 507 HZ3 LYS B 52 -10.871 13.944 -19.487 1.00 0.00 H ATOM 508 H LYS B 52 -11.854 8.858 -21.443 1.00 0.00 H ATOM 509 N ILE B 53 -12.666 7.579 -18.391 1.00 42.89 N ATOM 510 CA ILE B 53 -13.389 7.115 -17.195 1.00 43.10 C ATOM 511 C ILE B 53 -13.470 5.592 -17.094 1.00 43.42 C ATOM 512 O ILE B 53 -13.565 5.043 -15.998 1.00 46.03 O ATOM 513 CB ILE B 53 -14.833 7.671 -17.166 1.00 43.78 C ATOM 514 CG1 ILE B 53 -15.505 7.411 -15.826 1.00 44.51 C ATOM 515 CG2 ILE B 53 -15.697 7.074 -18.275 1.00 43.64 C ATOM 516 CD1 ILE B 53 -16.776 8.215 -15.659 1.00 46.55 C ATOM 517 H ILE B 53 -13.129 8.255 -19.032 1.00 0.00 H ATOM 518 N LEU B 54 -13.468 4.918 -18.240 1.00 43.97 N ATOM 519 CA LEU B 54 -13.556 3.461 -18.273 1.00 44.56 C ATOM 520 C LEU B 54 -12.288 2.782 -17.745 1.00 45.60 C ATOM 521 O LEU B 54 -12.330 1.617 -17.360 1.00 44.86 O ATOM 522 CB LEU B 54 -13.863 2.970 -19.691 1.00 43.45 C ATOM 523 CG LEU B 54 -15.271 3.234 -20.231 1.00 43.18 C ATOM 524 CD1 LEU B 54 -15.321 2.909 -21.714 1.00 43.37 C ATOM 525 CD2 LEU B 54 -16.357 2.455 -19.489 1.00 41.89 C ATOM 526 H LEU B 54 -13.402 5.442 -19.136 1.00 0.00 H ATOM 527 N LYS B 55 -11.174 3.512 -17.717 1.00 49.06 N ATOM 528 CA LYS B 55 -9.906 2.968 -17.218 1.00 54.53 C ATOM 529 C LYS B 55 -9.673 3.235 -15.725 1.00 55.05 C ATOM 530 O LYS B 55 -8.790 2.625 -15.132 1.00 54.28 O ATOM 531 CB LYS B 55 -8.731 3.508 -18.040 1.00 57.80 C ATOM 532 CG LYS B 55 -8.923 3.314 -19.534 1.00 62.09 C ATOM 533 CD LYS B 55 -7.617 3.297 -20.310 1.00 66.11 C ATOM 534 CE LYS B 55 -7.852 2.878 -21.761 1.00 69.24 C ATOM 535 NZ LYS B 55 -8.366 1.481 -21.883 1.00 67.60 N ATOM 536 HZ1 LYS B 55 -7.677 0.822 -21.469 1.00 0.00 H ATOM 537 HZ2 LYS B 55 -9.271 1.401 -21.378 1.00 0.00 H ATOM 538 HZ3 LYS B 55 -8.507 1.251 -22.887 1.00 0.00 H ATOM 539 H LYS B 55 -11.204 4.494 -18.058 1.00 0.00 H ATOM 540 N CYS B 56 -10.457 4.140 -15.131 1.00 55.83 N ATOM 541 CA CYS B 56 -10.396 4.411 -13.695 1.00 54.32 C ATOM 542 C CYS B 56 -10.728 3.169 -12.915 1.00 54.52 C ATOM 543 O CYS B 56 -11.694 2.493 -13.232 1.00 58.55 O ATOM 544 CB CYS B 56 -11.414 5.471 -13.307 1.00 53.91 C ATOM 545 SG CYS B 56 -11.108 7.048 -14.092 1.00 55.31 S ATOM 546 H CYS B 56 -11.136 4.672 -15.712 1.00 0.00 H ATOM 547 N LYS B 57 -9.940 2.878 -11.888 1.00 58.55 N ATOM 548 CA LYS B 57 -10.269 1.796 -10.952 1.00 60.46 C ATOM 549 C LYS B 57 -11.474 2.229 -10.092 1.00 54.19 C ATOM 550 O LYS B 57 -12.312 1.403 -9.709 1.00 52.23 O ATOM 551 CB LYS B 57 -9.043 1.446 -10.089 1.00 65.49 C ATOM 552 CG LYS B 57 -8.986 0.001 -9.602 1.00 73.53 C ATOM 553 CD LYS B 57 -7.553 -0.540 -9.595 1.00 77.51 C ATOM 554 CE LYS B 57 -7.412 -1.791 -8.734 1.00 78.78 C ATOM 555 NZ LYS B 57 -7.674 -1.504 -7.293 1.00 78.93 N ATOM 556 HZ1 LYS B 57 -6.994 -0.794 -6.953 1.00 0.00 H ATOM 557 HZ2 LYS B 57 -8.642 -1.139 -7.184 1.00 0.00 H ATOM 558 HZ3 LYS B 57 -7.568 -2.379 -6.742 1.00 0.00 H ATOM 559 H LYS B 57 -9.070 3.429 -11.743 1.00 0.00 H ATOM 560 N ALA B 58 -11.575 3.532 -9.824 1.00 48.17 N ATOM 561 CA ALA B 58 -12.673 4.058 -9.023 1.00 46.71 C ATOM 562 C ALA B 58 -13.034 5.504 -9.359 1.00 44.35 C ATOM 563 O ALA B 58 -12.173 6.338 -9.653 1.00 43.51 O ATOM 564 CB ALA B 58 -12.357 3.926 -7.539 1.00 46.79 C ATOM 565 H ALA B 58 -10.856 4.186 -10.194 1.00 0.00 H ATOM 566 N VAL B 59 -14.330 5.781 -9.292 1.00 42.76 N ATOM 567 CA VAL B 59 -14.885 7.085 -9.613 1.00 43.04 C ATOM 568 C VAL B 59 -15.608 7.598 -8.380 1.00 41.23 C ATOM 569 O VAL B 59 -16.336 6.842 -7.734 1.00 37.95 O ATOM 570 CB VAL B 59 -15.898 6.974 -10.781 1.00 44.53 C ATOM 571 CG1 VAL B 59 -16.587 8.309 -11.051 1.00 45.55 C ATOM 572 CG2 VAL B 59 -15.210 6.463 -12.038 1.00 45.57 C ATOM 573 H VAL B 59 -14.981 5.027 -8.995 1.00 0.00 H ATOM 574 N SER B 60 -15.419 8.876 -8.065 1.00 42.56 N ATOM 575 CA SER B 60 -16.141 9.514 -6.955 1.00 45.03 C ATOM 576 C SER B 60 -17.238 10.378 -7.521 1.00 39.53 C ATOM 577 O SER B 60 -16.972 11.280 -8.314 1.00 38.09 O ATOM 578 CB SER B 60 -15.205 10.378 -6.084 1.00 46.81 C ATOM 579 OG SER B 60 -15.949 11.186 -5.175 1.00 48.91 O ATOM 580 HG SER B 60 -15.325 11.728 -4.630 1.00 0.00 H ATOM 581 H SER B 60 -14.742 9.439 -8.619 1.00 0.00 H ATOM 582 N ARG B 61 -18.467 10.111 -7.097 1.00 39.17 N ATOM 583 CA ARG B 61 -19.634 10.882 -7.556 1.00 37.12 C ATOM 584 C ARG B 61 -20.220 11.745 -6.452 1.00 37.03 C ATOM 585 O ARG B 61 -20.475 11.256 -5.359 1.00 35.67 O ATOM 586 CB ARG B 61 -20.714 9.933 -8.032 1.00 35.42 C ATOM 587 CG ARG B 61 -22.030 10.605 -8.389 1.00 34.96 C ATOM 588 CD ARG B 61 -22.976 9.571 -8.948 1.00 33.23 C ATOM 589 NE ARG B 61 -23.615 8.790 -7.901 1.00 32.77 N ATOM 590 CZ ARG B 61 -24.106 7.564 -8.063 1.00 35.59 C ATOM 591 NH1 ARG B 61 -24.001 6.919 -9.229 1.00 36.42 N ATOM 592 NH2 ARG B 61 -24.690 6.957 -7.038 1.00 37.38 N ATOM 593 HE ARG B 61 -23.694 9.221 -6.958 1.00 0.00 H ATOM 594 HH12 ARG B 61 -24.393 5.961 -9.331 1.00 0.00 H ATOM 595 HH11 ARG B 61 -23.527 7.375 -10.035 1.00 0.00 H ATOM 596 HH22 ARG B 61 -25.077 5.999 -7.153 1.00 0.00 H ATOM 597 HH21 ARG B 61 -24.760 7.439 -6.119 1.00 0.00 H ATOM 598 H ARG B 61 -18.610 9.334 -6.420 1.00 0.00 H ATOM 599 N GLU B 62 -20.456 13.012 -6.757 1.00 38.65 N ATOM 600 CA GLU B 62 -21.205 13.901 -5.887 1.00 42.10 C ATOM 601 C GLU B 62 -22.547 14.188 -6.509 1.00 39.81 C ATOM 602 O GLU B 62 -22.590 14.561 -7.662 1.00 43.76 O ATOM 603 CB GLU B 62 -20.482 15.233 -5.745 1.00 48.73 C ATOM 604 CG GLU B 62 -19.351 15.244 -4.743 1.00 53.22 C ATOM 605 CD GLU B 62 -18.915 16.657 -4.404 1.00 60.30 C ATOM 606 OE1 GLU B 62 -18.462 17.388 -5.321 1.00 62.96 O ATOM 607 OE2 GLU B 62 -19.025 17.034 -3.215 1.00 65.94 O ATOM 608 H GLU B 62 -20.090 13.385 -7.656 1.00 0.00 H ATOM 609 N LEU B 63 -23.628 14.035 -5.752 1.00 39.70 N ATOM 610 CA LEU B 63 -24.963 14.469 -6.176 1.00 40.16 C ATOM 611 C LEU B 63 -25.440 15.545 -5.244 1.00 39.03 C ATOM 612 O LEU B 63 -25.196 15.471 -4.055 1.00 39.96 O ATOM 613 CB LEU B 63 -25.980 13.355 -6.035 1.00 43.90 C ATOM 614 CG LEU B 63 -25.741 12.010 -6.692 1.00 48.95 C ATOM 615 CD1 LEU B 63 -26.970 11.142 -6.488 1.00 49.68 C ATOM 616 CD2 LEU B 63 -25.449 12.188 -8.167 1.00 52.69 C ATOM 617 H LEU B 63 -23.523 13.588 -4.819 1.00 0.00 H ATOM 618 N ASN B 64 -26.170 16.517 -5.758 1.00 36.13 N ATOM 619 CA ASN B 64 -26.819 17.481 -4.895 1.00 34.59 C ATOM 620 C ASN B 64 -28.328 17.443 -5.138 1.00 33.66 C ATOM 621 O ASN B 64 -28.779 17.639 -6.262 1.00 34.14 O ATOM 622 CB ASN B 64 -26.232 18.858 -5.149 1.00 35.99 C ATOM 623 CG ASN B 64 -26.776 19.905 -4.212 1.00 35.46 C ATOM 624 OD1 ASN B 64 -27.871 20.423 -4.428 1.00 36.51 O ATOM 625 ND2 ASN B 64 -26.004 20.245 -3.181 1.00 33.07 N ATOM 626 HD22 ASN B 64 -25.086 19.777 -3.042 1.00 0.00 H ATOM 627 HD21 ASN B 64 -26.319 20.979 -2.515 1.00 0.00 H ATOM 628 H ASN B 64 -26.280 16.591 -6.790 1.00 0.00 H ATOM 629 N PHE B 65 -29.103 17.156 -4.090 1.00 31.95 N ATOM 630 CA PHE B 65 -30.551 17.036 -4.226 1.00 29.88 C ATOM 631 C PHE B 65 -31.345 17.804 -3.180 1.00 29.46 C ATOM 632 O PHE B 65 -30.871 18.058 -2.079 1.00 28.11 O ATOM 633 CB PHE B 65 -30.977 15.579 -4.224 1.00 29.60 C ATOM 634 CG PHE B 65 -30.667 14.842 -2.958 1.00 29.71 C ATOM 635 CD1 PHE B 65 -29.419 14.269 -2.761 1.00 29.49 C ATOM 636 CD2 PHE B 65 -31.646 14.658 -1.987 1.00 30.14 C ATOM 637 CE1 PHE B 65 -29.147 13.553 -1.611 1.00 29.88 C ATOM 638 CE2 PHE B 65 -31.376 13.950 -0.830 1.00 29.17 C ATOM 639 CZ PHE B 65 -30.127 13.398 -0.641 1.00 29.41 C ATOM 640 H PHE B 65 -28.666 17.015 -3.157 1.00 0.00 H ATOM 641 N SER B 66 -32.553 18.196 -3.564 1.00 29.95 N ATOM 642 CA SER B 66 -33.513 18.781 -2.647 1.00 30.76 C ATOM 643 C SER B 66 -34.687 17.837 -2.520 1.00 31.69 C ATOM 644 O SER B 66 -34.996 17.071 -3.450 1.00 32.04 O ATOM 645 CB SER B 66 -33.992 20.136 -3.143 1.00 31.08 C ATOM 646 OG SER B 66 -32.908 21.042 -3.222 1.00 32.17 O ATOM 647 HG SER B 66 -32.504 21.150 -2.325 1.00 0.00 H ATOM 648 H SER B 66 -32.822 18.079 -4.562 1.00 0.00 H ATOM 649 N SER B 67 -35.333 17.896 -1.361 1.00 30.43 N ATOM 650 CA SER B 67 -36.489 17.081 -1.083 1.00 30.21 C ATOM 651 C SER B 67 -37.378 17.869 -0.153 1.00 29.45 C ATOM 652 O SER B 67 -36.930 18.276 0.913 1.00 33.14 O ATOM 653 CB SER B 67 -36.056 15.768 -0.408 1.00 30.45 C ATOM 654 OG SER B 67 -37.163 14.970 -0.014 1.00 29.92 O ATOM 655 HG SER B 67 -37.720 15.475 0.629 1.00 0.00 H ATOM 656 H SER B 67 -34.993 18.552 -0.629 1.00 0.00 H ATOM 657 N THR B 68 -38.629 18.080 -0.530 1.00 27.36 N ATOM 658 CA THR B 68 -39.571 18.675 0.399 1.00 28.48 C ATOM 659 C THR B 68 -39.994 17.635 1.432 1.00 28.69 C ATOM 660 O THR B 68 -40.251 17.961 2.584 1.00 27.37 O ATOM 661 CB THR B 68 -40.816 19.257 -0.312 1.00 28.67 C ATOM 662 OG1 THR B 68 -41.570 18.205 -0.921 1.00 28.71 O ATOM 663 CG2 THR B 68 -40.412 20.300 -1.371 1.00 26.88 C ATOM 664 HG1 THR B 68 -41.862 17.564 -0.225 1.00 0.00 H ATOM 665 H THR B 68 -38.936 17.820 -1.489 1.00 0.00 H ATOM 666 N GLU B 69 -40.031 16.376 1.014 1.00 31.28 N ATOM 667 CA GLU B 69 -40.514 15.286 1.868 1.00 33.14 C ATOM 668 C GLU B 69 -39.419 14.663 2.716 1.00 32.12 C ATOM 669 O GLU B 69 -38.287 14.495 2.265 1.00 30.75 O ATOM 670 CB GLU B 69 -41.169 14.176 1.026 1.00 35.03 C ATOM 671 CG GLU B 69 -42.377 14.628 0.223 1.00 37.72 C ATOM 672 CD GLU B 69 -43.257 15.571 1.012 1.00 41.82 C ATOM 673 OE1 GLU B 69 -43.878 15.117 2.001 1.00 45.65 O ATOM 674 OE2 GLU B 69 -43.304 16.769 0.660 1.00 43.87 O ATOM 675 H GLU B 69 -39.707 16.155 0.051 1.00 0.00 H ATOM 676 N GLN B 70 -39.788 14.323 3.946 1.00 32.64 N ATOM 677 CA GLN B 70 -38.957 13.523 4.807 1.00 32.85 C ATOM 678 C GLN B 70 -38.839 12.128 4.216 1.00 31.88 C ATOM 679 O GLN B 70 -39.827 11.546 3.801 1.00 30.84 O ATOM 680 CB GLN B 70 -39.559 13.428 6.213 1.00 32.62 C ATOM 681 CG GLN B 70 -38.655 12.718 7.228 1.00 32.72 C ATOM 682 CD GLN B 70 -39.166 12.852 8.655 1.00 32.22 C ATOM 683 OE1 GLN B 70 -39.143 13.935 9.239 1.00 32.64 O ATOM 684 NE2 GLN B 70 -39.632 11.752 9.217 1.00 31.88 N ATOM 685 HE22 GLN B 70 -39.633 10.857 8.687 1.00 0.00 H ATOM 686 HE21 GLN B 70 -39.998 11.780 10.190 1.00 0.00 H ATOM 687 H GLN B 70 -40.711 14.647 4.300 1.00 0.00 H ATOM 688 N MET B 71 -37.617 11.615 4.173 1.00 32.84 N ATOM 689 CA MET B 71 -37.365 10.218 3.849 1.00 35.29 C ATOM 690 C MET B 71 -36.568 9.571 4.977 1.00 36.28 C ATOM 691 O MET B 71 -35.622 10.161 5.509 1.00 34.97 O ATOM 692 CB MET B 71 -36.582 10.116 2.543 1.00 35.95 C ATOM 693 CG MET B 71 -37.447 10.193 1.305 1.00 37.24 C ATOM 694 SD MET B 71 -36.462 10.219 -0.201 1.00 39.03 S ATOM 695 CE MET B 71 -35.977 11.928 -0.291 1.00 38.64 C ATOM 696 H MET B 71 -36.807 12.234 4.379 1.00 0.00 H ATOM 697 N GLU B 72 -36.939 8.353 5.333 1.00 40.51 N ATOM 698 CA GLU B 72 -36.250 7.649 6.408 1.00 46.82 C ATOM 699 C GLU B 72 -34.989 6.932 5.923 1.00 45.09 C ATOM 700 O GLU B 72 -33.938 7.086 6.530 1.00 45.32 O ATOM 701 CB GLU B 72 -37.215 6.709 7.118 1.00 53.68 C ATOM 702 CG GLU B 72 -38.288 7.480 7.895 1.00 62.20 C ATOM 703 CD GLU B 72 -39.706 7.066 7.527 1.00 72.21 C ATOM 704 OE1 GLU B 72 -40.293 6.239 8.273 1.00 76.77 O ATOM 705 OE2 GLU B 72 -40.219 7.561 6.489 1.00 70.20 O ATOM 706 H GLU B 72 -37.731 7.892 4.841 1.00 0.00 H ATOM 707 N LYS B 73 -35.074 6.190 4.822 1.00 42.64 N ATOM 708 CA LYS B 73 -33.892 5.501 4.292 1.00 45.23 C ATOM 709 C LYS B 73 -33.759 5.673 2.776 1.00 39.36 C ATOM 710 O LYS B 73 -33.946 4.738 2.011 1.00 35.78 O ATOM 711 CB LYS B 73 -33.912 4.018 4.689 1.00 51.25 C ATOM 712 CG LYS B 73 -32.537 3.339 4.734 1.00 57.98 C ATOM 713 CD LYS B 73 -32.693 1.814 4.800 1.00 65.66 C ATOM 714 CE LYS B 73 -31.711 1.121 5.742 1.00 70.35 C ATOM 715 NZ LYS B 73 -31.890 1.522 7.171 1.00 73.41 N ATOM 716 HZ1 LYS B 73 -31.746 2.548 7.263 1.00 0.00 H ATOM 717 HZ2 LYS B 73 -32.852 1.277 7.481 1.00 0.00 H ATOM 718 HZ3 LYS B 73 -31.196 1.019 7.760 1.00 0.00 H ATOM 719 H LYS B 73 -35.987 6.097 4.332 1.00 0.00 H ATOM 720 N PHE B 74 -33.424 6.893 2.367 1.00 36.31 N ATOM 721 CA PHE B 74 -33.210 7.225 0.967 1.00 34.04 C ATOM 722 C PHE B 74 -31.986 6.478 0.420 1.00 33.77 C ATOM 723 O PHE B 74 -30.908 6.507 1.015 1.00 32.72 O ATOM 724 CB PHE B 74 -33.027 8.737 0.822 1.00 32.60 C ATOM 725 CG PHE B 74 -32.813 9.212 -0.596 1.00 32.20 C ATOM 726 CD1 PHE B 74 -33.716 8.891 -1.604 1.00 33.13 C ATOM 727 CD2 PHE B 74 -31.728 10.018 -0.915 1.00 32.22 C ATOM 728 CE1 PHE B 74 -33.533 9.348 -2.904 1.00 32.44 C ATOM 729 CE2 PHE B 74 -31.536 10.481 -2.209 1.00 32.23 C ATOM 730 CZ PHE B 74 -32.438 10.143 -3.206 1.00 32.45 C ATOM 731 H PHE B 74 -33.310 7.642 3.079 1.00 0.00 H ATOM 732 N ARG B 75 -32.169 5.816 -0.717 1.00 33.01 N ATOM 733 CA ARG B 75 -31.124 5.010 -1.319 1.00 33.88 C ATOM 734 C ARG B 75 -31.376 4.827 -2.824 1.00 33.73 C ATOM 735 O ARG B 75 -32.476 5.116 -3.321 1.00 32.43 O ATOM 736 CB ARG B 75 -31.072 3.651 -0.610 1.00 33.49 C ATOM 737 CG ARG B 75 -32.367 2.881 -0.694 1.00 33.71 C ATOM 738 CD ARG B 75 -32.301 1.526 -0.006 1.00 33.60 C ATOM 739 NE ARG B 75 -33.502 0.759 -0.350 1.00 32.93 N ATOM 740 CZ ARG B 75 -33.587 -0.122 -1.343 1.00 33.57 C ATOM 741 NH1 ARG B 75 -32.533 -0.402 -2.110 1.00 36.26 N ATOM 742 NH2 ARG B 75 -34.743 -0.724 -1.585 1.00 32.94 N ATOM 743 HE ARG B 75 -34.353 0.916 0.227 1.00 0.00 H ATOM 744 HH12 ARG B 75 -32.620 -1.094 -2.881 1.00 0.00 H ATOM 745 HH11 ARG B 75 -31.623 0.072 -1.937 1.00 0.00 H ATOM 746 HH22 ARG B 75 -34.818 -1.414 -2.359 1.00 0.00 H ATOM 747 HH21 ARG B 75 -35.575 -0.506 -1.000 1.00 0.00 H ATOM 748 H ARG B 75 -33.092 5.878 -1.191 1.00 0.00 H ATOM 749 N LEU B 76 -30.357 4.345 -3.533 1.00 32.66 N ATOM 750 CA LEU B 76 -30.463 4.057 -4.967 1.00 32.73 C ATOM 751 C LEU B 76 -30.025 2.645 -5.296 1.00 33.16 C ATOM 752 O LEU B 76 -29.125 2.086 -4.659 1.00 33.79 O ATOM 753 CB LEU B 76 -29.545 4.962 -5.790 1.00 33.20 C ATOM 754 CG LEU B 76 -29.595 6.458 -5.621 1.00 33.64 C ATOM 755 CD1 LEU B 76 -28.431 7.074 -6.357 1.00 34.96 C ATOM 756 CD2 LEU B 76 -30.904 7.037 -6.120 1.00 35.52 C ATOM 757 H LEU B 76 -29.452 4.166 -3.052 1.00 0.00 H ATOM 758 N GLU B 77 -30.642 2.105 -6.331 1.00 34.34 N ATOM 759 CA GLU B 77 -30.163 0.915 -7.004 1.00 37.25 C ATOM 760 C GLU B 77 -29.846 1.352 -8.432 1.00 37.05 C ATOM 761 O GLU B 77 -30.694 1.939 -9.095 1.00 38.44 O ATOM 762 CB GLU B 77 -31.231 -0.195 -6.986 1.00 37.51 C ATOM 763 CG GLU B 77 -31.512 -0.728 -5.586 1.00 41.66 C ATOM 764 CD GLU B 77 -32.659 -1.745 -5.488 1.00 44.33 C ATOM 765 OE1 GLU B 77 -33.107 -2.296 -6.522 1.00 45.12 O ATOM 766 OE2 GLU B 77 -33.119 -1.994 -4.343 1.00 45.89 O ATOM 767 H GLU B 77 -31.512 2.555 -6.679 1.00 0.00 H ATOM 768 N GLN B 78 -28.634 1.090 -8.910 1.00 36.50 N ATOM 769 CA GLN B 78 -28.307 1.403 -10.312 1.00 35.18 C ATOM 770 C GLN B 78 -27.834 0.193 -11.070 1.00 34.42 C ATOM 771 O GLN B 78 -26.978 -0.523 -10.584 1.00 35.16 O ATOM 772 CB GLN B 78 -27.241 2.464 -10.369 1.00 33.36 C ATOM 773 CG GLN B 78 -27.768 3.802 -9.948 1.00 32.26 C ATOM 774 CD GLN B 78 -26.728 4.852 -10.122 1.00 31.97 C ATOM 775 OE1 GLN B 78 -25.732 4.835 -9.431 1.00 33.42 O ATOM 776 NE2 GLN B 78 -26.941 5.770 -11.057 1.00 32.41 N ATOM 777 HE22 GLN B 78 -27.812 5.742 -11.624 1.00 0.00 H ATOM 778 HE21 GLN B 78 -26.237 6.517 -11.222 1.00 0.00 H ATOM 779 H GLN B 78 -27.914 0.663 -8.293 1.00 0.00 H ATOM 780 N LYS B 79 -28.402 -0.024 -12.253 1.00 34.01 N ATOM 781 CA LYS B 79 -28.078 -1.172 -13.091 1.00 34.34 C ATOM 782 C LYS B 79 -27.497 -0.714 -14.409 1.00 33.37 C ATOM 783 O LYS B 79 -28.067 0.157 -15.075 1.00 32.22 O ATOM 784 CB LYS B 79 -29.323 -1.992 -13.393 1.00 36.96 C ATOM 785 CG LYS B 79 -29.772 -2.874 -12.262 1.00 39.36 C ATOM 786 CD LYS B 79 -30.954 -3.709 -12.687 1.00 42.86 C ATOM 787 CE LYS B 79 -31.358 -4.650 -11.570 1.00 46.16 C ATOM 788 NZ LYS B 79 -32.502 -5.501 -11.981 1.00 48.44 N ATOM 789 HZ1 LYS B 79 -33.314 -4.897 -12.219 1.00 0.00 H ATOM 790 HZ2 LYS B 79 -32.232 -6.065 -12.812 1.00 0.00 H ATOM 791 HZ3 LYS B 79 -32.759 -6.136 -11.198 1.00 0.00 H ATOM 792 H LYS B 79 -29.110 0.657 -12.596 1.00 0.00 H ATOM 793 N VAL B 80 -26.393 -1.347 -14.796 1.00 31.23 N ATOM 794 CA VAL B 80 -25.707 -1.062 -16.046 1.00 31.07 C ATOM 795 C VAL B 80 -26.152 -2.087 -17.068 1.00 29.87 C ATOM 796 O VAL B 80 -25.811 -3.249 -16.947 1.00 28.98 O ATOM 797 CB VAL B 80 -24.171 -1.174 -15.858 1.00 31.82 C ATOM 798 CG1 VAL B 80 -23.430 -0.830 -17.146 1.00 31.26 C ATOM 799 CG2 VAL B 80 -23.716 -0.280 -14.712 1.00 31.37 C ATOM 800 H VAL B 80 -26.001 -2.082 -14.174 1.00 0.00 H ATOM 801 N TYR B 81 -26.921 -1.660 -18.063 1.00 31.27 N ATOM 802 CA TYR B 81 -27.319 -2.534 -19.173 1.00 32.09 C ATOM 803 C TYR B 81 -26.471 -2.249 -20.414 1.00 32.30 C ATOM 804 O TYR B 81 -26.309 -1.100 -20.797 1.00 32.38 O ATOM 805 CB TYR B 81 -28.793 -2.338 -19.539 1.00 32.80 C ATOM 806 CG TYR B 81 -29.774 -2.823 -18.516 1.00 34.88 C ATOM 807 CD1 TYR B 81 -30.264 -4.127 -18.557 1.00 37.34 C ATOM 808 CD2 TYR B 81 -30.219 -1.983 -17.499 1.00 35.97 C ATOM 809 CE1 TYR B 81 -31.170 -4.580 -17.613 1.00 37.19 C ATOM 810 CE2 TYR B 81 -31.121 -2.426 -16.553 1.00 35.80 C ATOM 811 CZ TYR B 81 -31.594 -3.722 -16.619 1.00 37.68 C ATOM 812 OH TYR B 81 -32.491 -4.167 -15.681 1.00 41.63 O ATOM 813 HH TYR B 81 -32.726 -5.110 -15.872 1.00 0.00 H ATOM 814 H TYR B 81 -27.252 -0.674 -18.055 1.00 0.00 H ATOM 815 N PHE B 82 -25.949 -3.308 -21.031 1.00 34.10 N ATOM 816 CA PHE B 82 -25.316 -3.254 -22.352 1.00 33.09 C ATOM 817 C PHE B 82 -26.225 -4.015 -23.309 1.00 33.93 C ATOM 818 O PHE B 82 -26.484 -5.204 -23.105 1.00 31.97 O ATOM 819 CB PHE B 82 -23.946 -3.927 -22.302 1.00 33.67 C ATOM 820 CG PHE B 82 -23.276 -4.045 -23.641 1.00 34.70 C ATOM 821 CD1 PHE B 82 -22.719 -2.933 -24.249 1.00 33.85 C ATOM 822 CD2 PHE B 82 -23.199 -5.270 -24.293 1.00 35.40 C ATOM 823 CE1 PHE B 82 -22.107 -3.031 -25.479 1.00 33.19 C ATOM 824 CE2 PHE B 82 -22.586 -5.373 -25.522 1.00 33.88 C ATOM 825 CZ PHE B 82 -22.037 -4.251 -26.113 1.00 34.20 C ATOM 826 H PHE B 82 -25.993 -4.227 -20.547 1.00 0.00 H ATOM 827 N LYS B 83 -26.734 -3.326 -24.331 1.00 34.92 N ATOM 828 CA LYS B 83 -27.719 -3.908 -25.251 1.00 34.25 C ATOM 829 C LYS B 83 -28.788 -4.739 -24.524 1.00 35.45 C ATOM 830 O LYS B 83 -29.098 -5.852 -24.938 1.00 36.08 O ATOM 831 CB LYS B 83 -27.013 -4.774 -26.300 1.00 33.57 C ATOM 832 CG LYS B 83 -26.088 -4.006 -27.224 1.00 34.03 C ATOM 833 CD LYS B 83 -25.517 -4.929 -28.288 1.00 34.84 C ATOM 834 CE LYS B 83 -24.613 -4.186 -29.263 1.00 35.20 C ATOM 835 NZ LYS B 83 -23.942 -5.095 -30.232 1.00 34.16 N ATOM 836 HZ1 LYS B 83 -23.357 -5.781 -29.714 1.00 0.00 H ATOM 837 HZ2 LYS B 83 -24.662 -5.601 -30.787 1.00 0.00 H ATOM 838 HZ3 LYS B 83 -23.340 -4.536 -30.870 1.00 0.00 H ATOM 839 H LYS B 83 -26.423 -2.345 -24.481 1.00 0.00 H ATOM 840 N GLY B 84 -29.328 -4.212 -23.429 1.00 37.54 N ATOM 841 CA GLY B 84 -30.439 -4.866 -22.726 1.00 39.85 C ATOM 842 C GLY B 84 -30.042 -5.982 -21.762 1.00 42.31 C ATOM 843 O GLY B 84 -30.898 -6.671 -21.205 1.00 42.88 O ATOM 844 H GLY B 84 -28.954 -3.314 -23.061 1.00 0.00 H ATOM 845 N GLN B 85 -28.746 -6.150 -21.546 1.00 43.88 N ATOM 846 CA GLN B 85 -28.248 -7.138 -20.605 1.00 46.00 C ATOM 847 C GLN B 85 -27.578 -6.481 -19.404 1.00 44.78 C ATOM 848 O GLN B 85 -26.574 -5.782 -19.553 1.00 41.54 O ATOM 849 CB GLN B 85 -27.239 -8.037 -21.296 1.00 49.20 C ATOM 850 CG GLN B 85 -26.552 -9.006 -20.359 1.00 52.35 C ATOM 851 CD GLN B 85 -26.382 -10.352 -21.004 1.00 56.59 C ATOM 852 OE1 GLN B 85 -27.350 -10.913 -21.531 1.00 60.65 O ATOM 853 NE2 GLN B 85 -25.160 -10.876 -20.989 1.00 54.77 N ATOM 854 HE22 GLN B 85 -24.380 -10.363 -20.532 1.00 0.00 H ATOM 855 HE21 GLN B 85 -24.985 -11.799 -21.434 1.00 0.00 H ATOM 856 H GLN B 85 -28.066 -5.558 -22.065 1.00 0.00 H ATOM 857 N CYS B 86 -28.125 -6.734 -18.219 1.00 44.91 N ATOM 858 CA CYS B 86 -27.553 -6.235 -16.983 1.00 44.25 C ATOM 859 C CYS B 86 -26.154 -6.801 -16.773 1.00 45.03 C ATOM 860 O CYS B 86 -25.983 -8.005 -16.696 1.00 49.57 O ATOM 861 CB CYS B 86 -28.437 -6.611 -15.795 1.00 44.00 C ATOM 862 SG CYS B 86 -27.782 -5.971 -14.248 1.00 45.40 S ATOM 863 H CYS B 86 -28.991 -7.308 -18.177 1.00 0.00 H ATOM 864 N LEU B 87 -25.165 -5.918 -16.682 1.00 45.07 N ATOM 865 CA LEU B 87 -23.761 -6.276 -16.458 1.00 43.86 C ATOM 866 C LEU B 87 -23.332 -6.041 -15.011 1.00 47.10 C ATOM 867 O LEU B 87 -22.495 -6.767 -14.486 1.00 47.74 O ATOM 868 CB LEU B 87 -22.865 -5.400 -17.324 1.00 44.50 C ATOM 869 CG LEU B 87 -22.372 -5.849 -18.693 1.00 43.11 C ATOM 870 CD1 LEU B 87 -23.410 -6.593 -19.512 1.00 44.09 C ATOM 871 CD2 LEU B 87 -21.900 -4.590 -19.401 1.00 43.22 C ATOM 872 H LEU B 87 -25.402 -4.910 -16.776 1.00 0.00 H ATOM 873 N GLU B 88 -23.832 -4.974 -14.391 1.00 48.21 N ATOM 874 CA GLU B 88 -23.684 -4.833 -12.951 1.00 49.81 C ATOM 875 C GLU B 88 -24.795 -4.059 -12.253 1.00 49.16 C ATOM 876 O GLU B 88 -25.628 -3.417 -12.883 1.00 49.25 O ATOM 877 CB GLU B 88 -22.292 -4.331 -12.526 1.00 51.25 C ATOM 878 CG GLU B 88 -21.472 -3.523 -13.509 1.00 53.90 C ATOM 879 CD GLU B 88 -20.047 -3.319 -12.995 1.00 57.46 C ATOM 880 OE1 GLU B 88 -19.860 -3.249 -11.762 1.00 57.62 O ATOM 881 OE2 GLU B 88 -19.104 -3.254 -13.811 1.00 58.65 O ATOM 882 H GLU B 88 -24.329 -4.241 -14.937 1.00 0.00 H ATOM 883 N GLU B 89 -24.805 -4.202 -10.929 1.00 50.77 N ATOM 884 CA GLU B 89 -25.771 -3.568 -10.046 1.00 49.56 C ATOM 885 C GLU B 89 -25.014 -2.882 -8.906 1.00 43.72 C ATOM 886 O GLU B 89 -24.134 -3.474 -8.286 1.00 41.82 O ATOM 887 CB GLU B 89 -26.754 -4.601 -9.497 1.00 52.07 C ATOM 888 CG GLU B 89 -27.995 -3.966 -8.873 1.00 58.48 C ATOM 889 CD GLU B 89 -29.153 -4.941 -8.695 1.00 61.49 C ATOM 890 OE1 GLU B 89 -28.907 -6.167 -8.545 1.00 64.60 O ATOM 891 OE2 GLU B 89 -30.316 -4.476 -8.700 1.00 59.94 O ATOM 892 H GLU B 89 -24.075 -4.806 -10.499 1.00 0.00 H ATOM 893 N TRP B 90 -25.347 -1.622 -8.664 1.00 39.41 N ATOM 894 CA TRP B 90 -24.732 -0.832 -7.614 1.00 38.01 C ATOM 895 C TRP B 90 -25.798 -0.451 -6.600 1.00 35.52 C ATOM 896 O TRP B 90 -26.940 -0.178 -6.965 1.00 36.20 O ATOM 897 CB TRP B 90 -24.133 0.445 -8.193 1.00 39.48 C ATOM 898 CG TRP B 90 -23.124 0.255 -9.276 1.00 41.66 C ATOM 899 CD1 TRP B 90 -22.302 -0.816 -9.457 1.00 44.23 C ATOM 900 CD2 TRP B 90 -22.791 1.193 -10.307 1.00 43.42 C ATOM 901 NE1 TRP B 90 -21.489 -0.615 -10.550 1.00 43.89 N ATOM 902 CE2 TRP B 90 -21.767 0.613 -11.086 1.00 43.01 C ATOM 903 CE3 TRP B 90 -23.258 2.471 -10.646 1.00 42.64 C ATOM 904 CZ2 TRP B 90 -21.197 1.261 -12.173 1.00 43.31 C ATOM 905 CZ3 TRP B 90 -22.691 3.116 -11.734 1.00 44.19 C ATOM 906 CH2 TRP B 90 -21.670 2.507 -12.489 1.00 43.48 C ATOM 907 HE1 TRP B 90 -20.780 -1.286 -10.909 1.00 0.00 H ATOM 908 H TRP B 90 -26.082 -1.180 -9.253 1.00 0.00 H ATOM 909 N PHE B 91 -25.425 -0.421 -5.331 1.00 33.71 N ATOM 910 CA PHE B 91 -26.337 -0.018 -4.271 1.00 31.07 C ATOM 911 C PHE B 91 -25.665 1.090 -3.496 1.00 31.89 C ATOM 912 O PHE B 91 -24.509 0.972 -3.136 1.00 29.22 O ATOM 913 CB PHE B 91 -26.639 -1.193 -3.355 1.00 29.87 C ATOM 914 CG PHE B 91 -27.273 -2.367 -4.055 1.00 30.94 C ATOM 915 CD1 PHE B 91 -26.487 -3.322 -4.715 1.00 31.67 C ATOM 916 CD2 PHE B 91 -28.656 -2.524 -4.066 1.00 31.42 C ATOM 917 CE1 PHE B 91 -27.077 -4.407 -5.365 1.00 32.32 C ATOM 918 CE2 PHE B 91 -29.256 -3.605 -4.714 1.00 31.15 C ATOM 919 CZ PHE B 91 -28.466 -4.548 -5.362 1.00 31.91 C ATOM 920 H PHE B 91 -24.452 -0.693 -5.084 1.00 0.00 H ATOM 921 N PHE B 92 -26.383 2.186 -3.277 1.00 35.96 N ATOM 922 CA PHE B 92 -25.882 3.293 -2.469 1.00 37.10 C ATOM 923 C PHE B 92 -26.951 3.704 -1.479 1.00 39.30 C ATOM 924 O PHE B 92 -28.144 3.656 -1.791 1.00 41.78 O ATOM 925 CB PHE B 92 -25.544 4.484 -3.351 1.00 37.73 C ATOM 926 CG PHE B 92 -24.605 4.161 -4.465 1.00 37.82 C ATOM 927 CD1 PHE B 92 -23.248 4.065 -4.231 1.00 38.77 C ATOM 928 CD2 PHE B 92 -25.079 3.948 -5.750 1.00 39.40 C ATOM 929 CE1 PHE B 92 -22.373 3.769 -5.266 1.00 38.87 C ATOM 930 CE2 PHE B 92 -24.211 3.654 -6.790 1.00 38.32 C ATOM 931 CZ PHE B 92 -22.857 3.566 -6.545 1.00 38.91 C ATOM 932 H PHE B 92 -27.333 2.257 -3.695 1.00 0.00 H ATOM 933 N GLU B 93 -26.528 4.107 -0.287 1.00 41.36 N ATOM 934 CA GLU B 93 -27.472 4.520 0.741 1.00 42.68 C ATOM 935 C GLU B 93 -27.109 5.906 1.240 1.00 38.02 C ATOM 936 O GLU B 93 -25.963 6.159 1.576 1.00 34.31 O ATOM 937 CB GLU B 93 -27.520 3.523 1.900 1.00 47.44 C ATOM 938 CG GLU B 93 -28.630 3.856 2.900 1.00 56.88 C ATOM 939 CD GLU B 93 -28.914 2.746 3.906 1.00 65.02 C ATOM 940 OE1 GLU B 93 -29.072 1.567 3.489 1.00 66.89 O ATOM 941 OE2 GLU B 93 -28.995 3.068 5.120 1.00 67.62 O ATOM 942 H GLU B 93 -25.508 4.128 -0.085 1.00 0.00 H ATOM 943 N PHE B 94 -28.087 6.812 1.227 1.00 35.07 N ATOM 944 CA PHE B 94 -27.907 8.130 1.810 1.00 34.86 C ATOM 945 C PHE B 94 -28.310 8.114 3.279 1.00 35.72 C ATOM 946 O PHE B 94 -27.587 8.644 4.117 1.00 36.18 O ATOM 947 CB PHE B 94 -28.721 9.196 1.090 1.00 33.29 C ATOM 948 CG PHE B 94 -28.544 10.570 1.673 1.00 31.57 C ATOM 949 CD1 PHE B 94 -27.425 11.330 1.356 1.00 31.41 C ATOM 950 CD2 PHE B 94 -29.482 11.099 2.554 1.00 31.44 C ATOM 951 CE1 PHE B 94 -27.243 12.605 1.889 1.00 31.50 C ATOM 952 CE2 PHE B 94 -29.305 12.377 3.100 1.00 32.06 C ATOM 953 CZ PHE B 94 -28.181 13.130 2.767 1.00 30.90 C ATOM 954 H PHE B 94 -28.999 6.570 0.790 1.00 0.00 H ATOM 955 N GLY B 95 -29.468 7.527 3.570 1.00 35.85 N ATOM 956 CA GLY B 95 -30.017 7.512 4.913 1.00 37.25 C ATOM 957 C GLY B 95 -31.171 8.486 5.096 1.00 38.84 C ATOM 958 O GLY B 95 -32.039 8.631 4.218 1.00 40.07 O ATOM 959 H GLY B 95 -29.999 7.062 2.807 1.00 0.00 H ATOM 960 N PHE B 96 -31.182 9.152 6.246 1.00 35.98 N ATOM 961 CA PHE B 96 -32.287 10.017 6.613 1.00 34.33 C ATOM 962 C PHE B 96 -32.217 11.342 5.866 1.00 32.26 C ATOM 963 O PHE B 96 -31.151 11.934 5.762 1.00 31.81 O ATOM 964 CB PHE B 96 -32.276 10.281 8.125 1.00 34.61 C ATOM 965 CG PHE B 96 -33.380 11.194 8.576 1.00 34.11 C ATOM 966 CD1 PHE B 96 -34.681 10.728 8.671 1.00 33.06 C ATOM 967 CD2 PHE B 96 -33.120 12.524 8.888 1.00 34.37 C ATOM 968 CE1 PHE B 96 -35.699 11.573 9.070 1.00 33.85 C ATOM 969 CE2 PHE B 96 -34.134 13.368 9.297 1.00 33.09 C ATOM 970 CZ PHE B 96 -35.425 12.895 9.382 1.00 32.52 C ATOM 971 H PHE B 96 -30.379 9.051 6.899 1.00 0.00 H ATOM 972 N VAL B 97 -33.359 11.811 5.365 1.00 30.31 N ATOM 973 CA VAL B 97 -33.425 13.102 4.684 1.00 29.62 C ATOM 974 C VAL B 97 -34.442 13.998 5.379 1.00 29.95 C ATOM 975 O VAL B 97 -35.605 13.618 5.548 1.00 29.95 O ATOM 976 CB VAL B 97 -33.865 12.977 3.199 1.00 29.28 C ATOM 977 CG1 VAL B 97 -33.854 14.351 2.522 1.00 27.76 C ATOM 978 CG2 VAL B 97 -32.990 11.992 2.435 1.00 28.21 C ATOM 979 H VAL B 97 -34.225 11.244 5.461 1.00 0.00 H ATOM 980 N ILE B 98 -33.987 15.190 5.747 1.00 29.93 N ATOM 981 CA ILE B 98 -34.773 16.194 6.468 1.00 30.43 C ATOM 982 C ILE B 98 -35.742 16.869 5.481 1.00 30.42 C ATOM 983 O ILE B 98 -35.338 17.199 4.373 1.00 29.63 O ATOM 984 CB ILE B 98 -33.805 17.249 7.088 1.00 30.84 C ATOM 985 CG1 ILE B 98 -32.982 16.629 8.217 1.00 32.60 C ATOM 986 CG2 ILE B 98 -34.519 18.495 7.590 1.00 31.23 C ATOM 987 CD1 ILE B 98 -31.667 17.364 8.476 1.00 33.82 C ATOM 988 H ILE B 98 -33.003 15.427 5.506 1.00 0.00 H ATOM 989 N PRO B 99 -37.018 17.082 5.874 1.00 32.07 N ATOM 990 CA PRO B 99 -37.920 17.785 4.947 1.00 32.20 C ATOM 991 C PRO B 99 -37.402 19.177 4.594 1.00 33.08 C ATOM 992 O PRO B 99 -36.831 19.848 5.458 1.00 38.20 O ATOM 993 CB PRO B 99 -39.260 17.865 5.715 1.00 32.03 C ATOM 994 CG PRO B 99 -39.003 17.371 7.099 1.00 31.31 C ATOM 995 CD PRO B 99 -37.732 16.563 7.061 1.00 32.60 C ATOM 996 N ASN B 100 -37.572 19.581 3.333 1.00 32.32 N ATOM 997 CA ASN B 100 -37.096 20.880 2.812 1.00 31.31 C ATOM 998 C ASN B 100 -35.604 21.117 2.945 1.00 31.59 C ATOM 999 O ASN B 100 -35.164 22.239 3.214 1.00 30.63 O ATOM 1000 CB ASN B 100 -37.848 22.032 3.452 1.00 30.97 C ATOM 1001 CG ASN B 100 -39.331 21.945 3.207 1.00 33.49 C ATOM 1002 OD1 ASN B 100 -40.099 21.644 4.119 1.00 36.35 O ATOM 1003 ND2 ASN B 100 -39.743 22.162 1.959 1.00 33.75 N ATOM 1004 HD22 ASN B 100 -39.055 22.414 1.221 1.00 0.00 H ATOM 1005 HD21 ASN B 100 -40.752 22.079 1.723 1.00 0.00 H ATOM 1006 H ASN B 100 -38.069 18.944 2.678 1.00 0.00 H ATOM 1007 N SER B 101 -34.830 20.061 2.729 1.00 31.13 N ATOM 1008 CA SER B 101 -33.392 20.143 2.818 1.00 31.01 C ATOM 1009 C SER B 101 -32.746 19.988 1.445 1.00 33.30 C ATOM 1010 O SER B 101 -33.349 19.454 0.512 1.00 33.00 O ATOM 1011 CB SER B 101 -32.874 19.054 3.755 1.00 31.38 C ATOM 1012 OG SER B 101 -33.128 17.763 3.243 1.00 30.02 O ATOM 1013 HG SER B 101 -34.104 17.640 3.130 1.00 0.00 H ATOM 1014 H SER B 101 -35.271 19.150 2.489 1.00 0.00 H ATOM 1015 N THR B 102 -31.509 20.474 1.346 1.00 34.67 N ATOM 1016 CA THR B 102 -30.675 20.299 0.175 1.00 34.31 C ATOM 1017 C THR B 102 -29.396 19.615 0.629 1.00 36.20 C ATOM 1018 O THR B 102 -28.792 20.038 1.598 1.00 35.85 O ATOM 1019 CB THR B 102 -30.365 21.650 -0.479 1.00 34.17 C ATOM 1020 OG1 THR B 102 -31.594 22.218 -0.949 1.00 33.51 O ATOM 1021 CG2 THR B 102 -29.382 21.493 -1.656 1.00 33.09 C ATOM 1022 HG1 THR B 102 -32.007 21.608 -1.610 1.00 0.00 H ATOM 1023 H THR B 102 -31.123 21.007 2.151 1.00 0.00 H ATOM 1024 N ASN B 103 -28.992 18.556 -0.070 1.00 36.97 N ATOM 1025 CA ASN B 103 -27.970 17.647 0.436 1.00 37.11 C ATOM 1026 C ASN B 103 -27.006 17.230 -0.641 1.00 38.22 C ATOM 1027 O ASN B 103 -27.402 16.974 -1.774 1.00 37.56 O ATOM 1028 CB ASN B 103 -28.603 16.378 1.009 1.00 38.24 C ATOM 1029 CG ASN B 103 -29.790 16.667 1.914 1.00 40.70 C ATOM 1030 OD1 ASN B 103 -29.654 16.688 3.132 1.00 40.23 O ATOM 1031 ND2 ASN B 103 -30.964 16.895 1.317 1.00 41.21 N ATOM 1032 HD22 ASN B 103 -31.034 16.867 0.280 1.00 0.00 H ATOM 1033 HD21 ASN B 103 -31.807 17.100 1.890 1.00 0.00 H ATOM 1034 H ASN B 103 -29.417 18.372 -1.001 1.00 0.00 H ATOM 1035 N THR B 104 -25.734 17.157 -0.266 1.00 39.78 N ATOM 1036 CA THR B 104 -24.701 16.599 -1.105 1.00 38.61 C ATOM 1037 C THR B 104 -24.436 15.180 -0.652 1.00 37.24 C ATOM 1038 O THR B 104 -24.284 14.935 0.533 1.00 39.51 O ATOM 1039 CB THR B 104 -23.428 17.436 -1.025 1.00 40.08 C ATOM 1040 OG1 THR B 104 -23.712 18.740 -1.535 1.00 41.16 O ATOM 1041 CG2 THR B 104 -22.319 16.818 -1.855 1.00 41.93 C ATOM 1042 HG1 THR B 104 -22.894 19.296 -1.490 1.00 0.00 H ATOM 1043 H THR B 104 -25.471 17.518 0.673 1.00 0.00 H ATOM 1044 N TRP B 105 -24.420 14.256 -1.611 1.00 37.72 N ATOM 1045 CA TRP B 105 -24.238 12.826 -1.384 1.00 35.79 C ATOM 1046 C TRP B 105 -23.025 12.392 -2.190 1.00 40.18 C ATOM 1047 O TRP B 105 -23.016 12.513 -3.408 1.00 40.46 O ATOM 1048 CB TRP B 105 -25.479 12.085 -1.861 1.00 33.80 C ATOM 1049 CG TRP B 105 -25.501 10.601 -1.620 1.00 31.57 C ATOM 1050 CD1 TRP B 105 -24.557 9.849 -0.976 1.00 30.44 C ATOM 1051 CD2 TRP B 105 -26.559 9.702 -1.973 1.00 29.02 C ATOM 1052 NE1 TRP B 105 -24.966 8.537 -0.923 1.00 30.42 N ATOM 1053 CE2 TRP B 105 -26.181 8.420 -1.537 1.00 29.07 C ATOM 1054 CE3 TRP B 105 -27.793 9.859 -2.618 1.00 29.99 C ATOM 1055 CZ2 TRP B 105 -26.985 7.291 -1.736 1.00 29.74 C ATOM 1056 CZ3 TRP B 105 -28.611 8.726 -2.805 1.00 28.08 C ATOM 1057 CH2 TRP B 105 -28.194 7.465 -2.368 1.00 28.70 C ATOM 1058 HE1 TRP B 105 -24.435 7.758 -0.485 1.00 0.00 H ATOM 1059 H TRP B 105 -24.546 14.577 -2.592 1.00 0.00 H ATOM 1060 N GLN B 106 -21.985 11.932 -1.501 1.00 45.72 N ATOM 1061 CA GLN B 106 -20.785 11.441 -2.154 1.00 47.36 C ATOM 1062 C GLN B 106 -20.777 9.930 -2.082 1.00 45.63 C ATOM 1063 O GLN B 106 -20.947 9.345 -1.012 1.00 47.15 O ATOM 1064 CB GLN B 106 -19.536 11.997 -1.498 1.00 53.79 C ATOM 1065 CG GLN B 106 -18.245 11.572 -2.184 1.00 61.07 C ATOM 1066 CD GLN B 106 -17.178 12.658 -2.118 1.00 71.15 C ATOM 1067 OE1 GLN B 106 -17.362 13.757 -2.650 1.00 75.72 O ATOM 1068 NE2 GLN B 106 -16.055 12.356 -1.464 1.00 73.97 N ATOM 1069 HE22 GLN B 106 -15.942 11.417 -1.031 1.00 0.00 H ATOM 1070 HE21 GLN B 106 -15.293 13.059 -1.388 1.00 0.00 H ATOM 1071 H GLN B 106 -22.033 11.924 -0.462 1.00 0.00 H ATOM 1072 N SER B 107 -20.610 9.304 -3.236 1.00 43.15 N ATOM 1073 CA SER B 107 -20.537 7.869 -3.321 1.00 42.66 C ATOM 1074 C SER B 107 -19.319 7.532 -4.158 1.00 43.17 C ATOM 1075 O SER B 107 -18.885 8.319 -5.005 1.00 43.82 O ATOM 1076 CB SER B 107 -21.814 7.280 -3.942 1.00 44.18 C ATOM 1077 OG SER B 107 -23.002 7.789 -3.345 1.00 43.35 O ATOM 1078 HG SER B 107 -23.791 7.379 -3.780 1.00 0.00 H ATOM 1079 H SER B 107 -20.529 9.866 -4.108 1.00 0.00 H ATOM 1080 N LEU B 108 -18.756 6.366 -3.895 1.00 44.33 N ATOM 1081 CA LEU B 108 -17.617 5.884 -4.628 1.00 46.99 C ATOM 1082 C LEU B 108 -18.073 4.679 -5.450 1.00 48.61 C ATOM 1083 O LEU B 108 -18.786 3.811 -4.953 1.00 46.54 O ATOM 1084 CB LEU B 108 -16.504 5.482 -3.666 1.00 49.89 C ATOM 1085 CG LEU B 108 -15.131 5.225 -4.301 1.00 53.73 C ATOM 1086 CD1 LEU B 108 -14.378 6.536 -4.470 1.00 54.78 C ATOM 1087 CD2 LEU B 108 -14.319 4.243 -3.462 1.00 55.89 C ATOM 1088 H LEU B 108 -19.150 5.778 -3.133 1.00 0.00 H ATOM 1089 N ILE B 109 -17.660 4.647 -6.712 1.00 51.26 N ATOM 1090 CA ILE B 109 -17.976 3.555 -7.621 1.00 54.37 C ATOM 1091 C ILE B 109 -16.653 2.861 -7.971 1.00 55.43 C ATOM 1092 O ILE B 109 -15.675 3.523 -8.324 1.00 49.38 O ATOM 1093 CB ILE B 109 -18.690 4.099 -8.876 1.00 56.57 C ATOM 1094 CG1 ILE B 109 -19.747 5.148 -8.465 1.00 57.74 C ATOM 1095 CG2 ILE B 109 -19.316 2.960 -9.664 1.00 57.29 C ATOM 1096 CD1 ILE B 109 -20.477 5.809 -9.616 1.00 57.60 C ATOM 1097 H ILE B 109 -17.085 5.438 -7.067 1.00 0.00 H ATOM 1098 N GLU B 110 -16.618 1.537 -7.851 1.00 58.14 N ATOM 1099 CA GLU B 110 -15.358 0.802 -7.915 1.00 62.39 C ATOM 1100 C GLU B 110 -15.344 -0.236 -9.026 1.00 59.36 C ATOM 1101 O GLU B 110 -16.388 -0.720 -9.438 1.00 58.52 O ATOM 1102 CB GLU B 110 -15.080 0.144 -6.561 1.00 67.34 C ATOM 1103 CG GLU B 110 -14.834 1.151 -5.441 1.00 71.63 C ATOM 1104 CD GLU B 110 -14.673 0.498 -4.075 1.00 75.99 C ATOM 1105 OE1 GLU B 110 -15.463 0.824 -3.161 1.00 77.25 O ATOM 1106 OE2 GLU B 110 -13.766 -0.347 -3.913 1.00 76.43 O ATOM 1107 H GLU B 110 -17.506 1.015 -7.709 1.00 0.00 H TER 1108 GLU B 110 ATOM 1109 N MET B 117 -13.502 -5.763 -19.522 1.00 47.50 N ATOM 1110 CA MET B 117 -13.916 -4.407 -19.879 1.00 50.77 C ATOM 1111 C MET B 117 -13.800 -4.192 -21.401 1.00 47.89 C ATOM 1112 O MET B 117 -12.704 -4.224 -21.960 1.00 46.75 O ATOM 1113 CB MET B 117 -13.073 -3.383 -19.113 1.00 54.15 C ATOM 1114 CG MET B 117 -13.496 -1.924 -19.287 1.00 60.63 C ATOM 1115 SD MET B 117 -15.191 -1.466 -18.822 1.00 71.59 S ATOM 1116 CE MET B 117 -15.459 -2.421 -17.323 1.00 73.96 C ATOM 1117 HN3 MET B 117 -12.514 -5.910 -19.811 1.00 0.00 H ATOM 1118 HN2 MET B 117 -14.112 -6.450 -20.009 1.00 0.00 H ATOM 1119 HN1 MET B 117 -13.586 -5.890 -18.493 1.00 0.00 H ATOM 1120 N MET B 118 -14.942 -4.004 -22.064 1.00 44.06 N ATOM 1121 CA MET B 118 -14.993 -3.736 -23.509 1.00 39.17 C ATOM 1122 C MET B 118 -14.517 -2.309 -23.820 1.00 36.17 C ATOM 1123 O MET B 118 -14.549 -1.430 -22.956 1.00 35.25 O ATOM 1124 CB MET B 118 -16.421 -3.920 -24.043 1.00 40.44 C ATOM 1125 CG MET B 118 -16.849 -5.372 -24.228 1.00 40.70 C ATOM 1126 SD MET B 118 -18.587 -5.564 -24.718 1.00 43.28 S ATOM 1127 CE MET B 118 -19.450 -5.332 -23.163 1.00 41.58 C ATOM 1128 H MET B 118 -15.836 -4.049 -21.535 1.00 0.00 H ATOM 1129 N PRO B 119 -14.069 -2.065 -25.059 1.00 32.27 N ATOM 1130 CA PRO B 119 -13.609 -0.713 -25.342 1.00 29.16 C ATOM 1131 C PRO B 119 -14.749 0.259 -25.504 1.00 27.36 C ATOM 1132 O PRO B 119 -15.872 -0.133 -25.816 1.00 28.05 O ATOM 1133 CB PRO B 119 -12.852 -0.851 -26.663 1.00 29.62 C ATOM 1134 CG PRO B 119 -12.885 -2.295 -27.029 1.00 30.79 C ATOM 1135 CD PRO B 119 -13.964 -2.946 -26.232 1.00 31.13 C ATOM 1136 N ALA B 120 -14.432 1.528 -25.305 1.00 26.76 N ATOM 1137 CA ALA B 120 -15.376 2.630 -25.426 1.00 25.83 C ATOM 1138 C ALA B 120 -16.219 2.576 -26.689 1.00 26.52 C ATOM 1139 O ALA B 120 -17.422 2.876 -26.650 1.00 30.16 O ATOM 1140 CB ALA B 120 -14.621 3.941 -25.394 1.00 25.70 C ATOM 1141 H ALA B 120 -13.450 1.752 -25.047 1.00 0.00 H ATOM 1142 N SER B 121 -15.585 2.192 -27.799 1.00 25.30 N ATOM 1143 CA SER B 121 -16.177 2.286 -29.128 1.00 23.11 C ATOM 1144 C SER B 121 -17.320 1.304 -29.285 1.00 22.60 C ATOM 1145 O SER B 121 -18.291 1.575 -29.964 1.00 22.47 O ATOM 1146 CB SER B 121 -15.098 2.052 -30.181 1.00 22.65 C ATOM 1147 OG SER B 121 -14.584 0.735 -30.085 1.00 25.00 O ATOM 1148 HG SER B 121 -13.887 0.603 -30.775 1.00 0.00 H ATOM 1149 H SER B 121 -14.623 1.807 -27.712 1.00 0.00 H ATOM 1150 N VAL B 122 -17.203 0.165 -28.626 1.00 22.71 N ATOM 1151 CA VAL B 122 -18.271 -0.826 -28.584 1.00 22.47 C ATOM 1152 C VAL B 122 -19.386 -0.383 -27.626 1.00 23.85 C ATOM 1153 O VAL B 122 -20.589 -0.502 -27.931 1.00 23.10 O ATOM 1154 CB VAL B 122 -17.725 -2.162 -28.097 1.00 21.72 C ATOM 1155 CG1 VAL B 122 -18.841 -3.164 -27.930 1.00 22.57 C ATOM 1156 CG2 VAL B 122 -16.679 -2.688 -29.056 1.00 22.10 C ATOM 1157 H VAL B 122 -16.317 -0.032 -28.119 1.00 0.00 H ATOM 1158 N LEU B 123 -18.981 0.121 -26.465 1.00 24.14 N ATOM 1159 CA LEU B 123 -19.938 0.491 -25.434 1.00 25.43 C ATOM 1160 C LEU B 123 -20.791 1.693 -25.836 1.00 24.98 C ATOM 1161 O LEU B 123 -21.980 1.769 -25.513 1.00 25.80 O ATOM 1162 CB LEU B 123 -19.204 0.813 -24.126 1.00 25.39 C ATOM 1163 CG LEU B 123 -18.573 -0.385 -23.429 1.00 25.86 C ATOM 1164 CD1 LEU B 123 -17.676 0.058 -22.278 1.00 25.40 C ATOM 1165 CD2 LEU B 123 -19.658 -1.345 -22.960 1.00 25.66 C ATOM 1166 H LEU B 123 -17.964 0.253 -26.291 1.00 0.00 H ATOM 1167 N THR B 124 -20.182 2.646 -26.514 1.00 23.69 N ATOM 1168 CA THR B 124 -20.822 3.944 -26.653 1.00 23.99 C ATOM 1169 C THR B 124 -22.161 3.842 -27.370 1.00 23.45 C ATOM 1170 O THR B 124 -22.274 3.224 -28.441 1.00 24.24 O ATOM 1171 CB THR B 124 -19.886 4.980 -27.335 1.00 23.82 C ATOM 1172 OG1 THR B 124 -20.455 6.293 -27.188 1.00 24.37 O ATOM 1173 CG2 THR B 124 -19.645 4.643 -28.830 1.00 23.16 C ATOM 1174 HG1 THR B 124 -19.863 6.958 -27.621 1.00 0.00 H ATOM 1175 H THR B 124 -19.252 2.471 -26.945 1.00 0.00 H ATOM 1176 N GLY B 125 -23.179 4.429 -26.753 1.00 23.57 N ATOM 1177 CA GLY B 125 -24.556 4.396 -27.273 1.00 23.42 C ATOM 1178 C GLY B 125 -25.321 3.141 -26.872 1.00 23.92 C ATOM 1179 O GLY B 125 -26.554 3.083 -26.985 1.00 23.02 O ATOM 1180 H GLY B 125 -22.996 4.935 -25.863 1.00 0.00 H ATOM 1181 N ASN B 126 -24.592 2.140 -26.389 1.00 23.91 N ATOM 1182 CA ASN B 126 -25.166 0.841 -26.055 1.00 24.89 C ATOM 1183 C ASN B 126 -25.260 0.568 -24.563 1.00 25.71 C ATOM 1184 O ASN B 126 -25.637 -0.533 -24.167 1.00 25.72 O ATOM 1185 CB ASN B 126 -24.328 -0.250 -26.706 1.00 24.81 C ATOM 1186 CG ASN B 126 -24.479 -0.257 -28.194 1.00 25.64 C ATOM 1187 OD1 ASN B 126 -25.591 -0.126 -28.707 1.00 26.63 O ATOM 1188 ND2 ASN B 126 -23.365 -0.388 -28.908 1.00 26.59 N ATOM 1189 HD22 ASN B 126 -22.449 -0.496 -28.427 1.00 0.00 H ATOM 1190 HD21 ASN B 126 -23.410 -0.383 -29.947 1.00 0.00 H ATOM 1191 H ASN B 126 -23.573 2.289 -26.244 1.00 0.00 H ATOM 1192 N VAL B 127 -24.899 1.562 -23.751 1.00 26.29 N ATOM 1193 CA VAL B 127 -24.943 1.454 -22.311 1.00 26.95 C ATOM 1194 C VAL B 127 -26.118 2.276 -21.787 1.00 26.74 C ATOM 1195 O VAL B 127 -26.222 3.450 -22.055 1.00 25.00 O ATOM 1196 CB VAL B 127 -23.627 1.951 -21.671 1.00 28.78 C ATOM 1197 CG1 VAL B 127 -23.730 1.932 -20.154 1.00 29.79 C ATOM 1198 CG2 VAL B 127 -22.458 1.078 -22.099 1.00 29.30 C ATOM 1199 H VAL B 127 -24.571 2.454 -24.173 1.00 0.00 H ATOM 1200 N ILE B 128 -27.010 1.634 -21.044 1.00 28.98 N ATOM 1201 CA ILE B 128 -28.086 2.332 -20.341 1.00 29.12 C ATOM 1202 C ILE B 128 -27.826 2.173 -18.856 1.00 28.58 C ATOM 1203 O ILE B 128 -27.557 1.060 -18.392 1.00 27.94 O ATOM 1204 CB ILE B 128 -29.455 1.707 -20.630 1.00 28.86 C ATOM 1205 CG1 ILE B 128 -29.813 1.854 -22.101 1.00 29.73 C ATOM 1206 CG2 ILE B 128 -30.520 2.335 -19.751 1.00 28.98 C ATOM 1207 CD1 ILE B 128 -30.237 3.246 -22.488 1.00 31.81 C ATOM 1208 H ILE B 128 -26.942 0.600 -20.959 1.00 0.00 H ATOM 1209 N ILE B 129 -27.895 3.279 -18.118 1.00 27.55 N ATOM 1210 CA ILE B 129 -27.909 3.214 -16.669 1.00 27.36 C ATOM 1211 C ILE B 129 -29.355 3.374 -16.235 1.00 28.22 C ATOM 1212 O ILE B 129 -29.977 4.404 -16.530 1.00 28.31 O ATOM 1213 CB ILE B 129 -27.069 4.318 -16.009 1.00 27.12 C ATOM 1214 CG1 ILE B 129 -25.674 4.402 -16.615 1.00 26.49 C ATOM 1215 CG2 ILE B 129 -26.994 4.089 -14.498 1.00 28.12 C ATOM 1216 CD1 ILE B 129 -24.804 3.193 -16.379 1.00 27.28 C ATOM 1217 H ILE B 129 -27.940 4.205 -18.588 1.00 0.00 H ATOM 1218 N GLU B 130 -29.876 2.355 -15.553 1.00 29.59 N ATOM 1219 CA GLU B 130 -31.213 2.387 -14.972 1.00 33.44 C ATOM 1220 C GLU B 130 -31.113 2.623 -13.455 1.00 33.88 C ATOM 1221 O GLU B 130 -30.599 1.774 -12.722 1.00 35.67 O ATOM 1222 CB GLU B 130 -31.961 1.083 -15.260 1.00 35.90 C ATOM 1223 CG GLU B 130 -33.435 1.113 -14.863 1.00 40.17 C ATOM 1224 CD GLU B 130 -33.986 -0.260 -14.474 1.00 45.47 C ATOM 1225 OE1 GLU B 130 -33.501 -0.878 -13.481 1.00 48.81 O ATOM 1226 OE2 GLU B 130 -34.921 -0.724 -15.156 1.00 45.37 O ATOM 1227 H GLU B 130 -29.302 1.496 -15.429 1.00 0.00 H ATOM 1228 N THR B 131 -31.615 3.772 -13.001 1.00 32.14 N ATOM 1229 CA THR B 131 -31.517 4.191 -11.609 1.00 29.75 C ATOM 1230 C THR B 131 -32.887 4.132 -10.963 1.00 30.26 C ATOM 1231 O THR B 131 -33.856 4.672 -11.497 1.00 31.69 O ATOM 1232 CB THR B 131 -31.014 5.636 -11.517 1.00 30.01 C ATOM 1233 OG1 THR B 131 -29.686 5.709 -12.028 1.00 28.90 O ATOM 1234 CG2 THR B 131 -30.994 6.134 -10.082 1.00 32.09 C ATOM 1235 HG1 THR B 131 -29.362 6.642 -11.968 1.00 0.00 H ATOM 1236 H THR B 131 -32.100 4.400 -13.673 1.00 0.00 H ATOM 1237 N LYS B 132 -32.962 3.488 -9.804 1.00 30.52 N ATOM 1238 CA LYS B 132 -34.185 3.425 -9.011 1.00 30.89 C ATOM 1239 C LYS B 132 -33.975 4.159 -7.675 1.00 31.36 C ATOM 1240 O LYS B 132 -33.056 3.827 -6.914 1.00 27.14 O ATOM 1241 CB LYS B 132 -34.535 1.984 -8.704 1.00 31.96 C ATOM 1242 CG LYS B 132 -35.152 1.153 -9.810 1.00 32.26 C ATOM 1243 CD LYS B 132 -35.635 -0.146 -9.170 1.00 34.92 C ATOM 1244 CE LYS B 132 -35.767 -1.301 -10.146 1.00 37.65 C ATOM 1245 NZ LYS B 132 -36.587 -0.903 -11.312 1.00 39.38 N ATOM 1246 HZ1 LYS B 132 -37.535 -0.623 -10.988 1.00 0.00 H ATOM 1247 HZ2 LYS B 132 -36.134 -0.101 -11.795 1.00 0.00 H ATOM 1248 HZ3 LYS B 132 -36.666 -1.706 -11.969 1.00 0.00 H ATOM 1249 H LYS B 132 -32.112 3.008 -9.446 1.00 0.00 H ATOM 1250 N PHE B 133 -34.833 5.143 -7.401 1.00 32.44 N ATOM 1251 CA PHE B 133 -34.801 5.892 -6.145 1.00 33.36 C ATOM 1252 C PHE B 133 -35.788 5.255 -5.190 1.00 32.22 C ATOM 1253 O PHE B 133 -36.962 5.093 -5.544 1.00 31.70 O ATOM 1254 CB PHE B 133 -35.186 7.357 -6.367 1.00 35.59 C ATOM 1255 CG PHE B 133 -34.204 8.114 -7.222 1.00 40.97 C ATOM 1256 CD1 PHE B 133 -34.223 7.985 -8.611 1.00 44.30 C ATOM 1257 CD2 PHE B 133 -33.252 8.950 -6.646 1.00 43.31 C ATOM 1258 CE1 PHE B 133 -33.317 8.675 -9.396 1.00 44.55 C ATOM 1259 CE2 PHE B 133 -32.339 9.637 -7.432 1.00 43.90 C ATOM 1260 CZ PHE B 133 -32.373 9.495 -8.805 1.00 44.75 C ATOM 1261 H PHE B 133 -35.554 5.388 -8.109 1.00 0.00 H ATOM 1262 N PHE B 134 -35.315 4.895 -3.993 1.00 30.59 N ATOM 1263 CA PHE B 134 -36.184 4.356 -2.939 1.00 30.57 C ATOM 1264 C PHE B 134 -36.111 5.191 -1.672 1.00 31.17 C ATOM 1265 O PHE B 134 -35.062 5.763 -1.366 1.00 30.16 O ATOM 1266 CB PHE B 134 -35.775 2.939 -2.524 1.00 29.17 C ATOM 1267 CG PHE B 134 -35.951 1.887 -3.582 1.00 27.87 C ATOM 1268 CD1 PHE B 134 -34.930 1.624 -4.495 1.00 27.24 C ATOM 1269 CD2 PHE B 134 -37.090 1.091 -3.606 1.00 27.24 C ATOM 1270 CE1 PHE B 134 -35.073 0.628 -5.447 1.00 27.27 C ATOM 1271 CE2 PHE B 134 -37.241 0.090 -4.558 1.00 27.02 C ATOM 1272 CZ PHE B 134 -36.236 -0.138 -5.486 1.00 26.97 C ATOM 1273 H PHE B 134 -34.298 5.000 -3.802 1.00 0.00 H ATOM 1274 N ASP B 135 -37.230 5.240 -0.945 1.00 33.38 N ATOM 1275 CA ASP B 135 -37.213 5.431 0.508 1.00 36.07 C ATOM 1276 C ASP B 135 -37.449 4.036 1.088 1.00 38.28 C ATOM 1277 O ASP B 135 -38.556 3.510 0.993 1.00 39.96 O ATOM 1278 CB ASP B 135 -38.316 6.389 0.982 1.00 36.70 C ATOM 1279 CG ASP B 135 -38.282 6.628 2.509 1.00 37.07 C ATOM 1280 OD1 ASP B 135 -37.402 6.048 3.182 1.00 37.81 O ATOM 1281 OD2 ASP B 135 -39.128 7.392 3.041 1.00 34.95 O ATOM 1282 H ASP B 135 -38.146 5.139 -1.427 1.00 0.00 H ATOM 1283 N ASP B 136 -36.407 3.432 1.647 1.00 39.91 N ATOM 1284 CA ASP B 136 -36.471 2.053 2.149 1.00 45.95 C ATOM 1285 C ASP B 136 -36.910 1.057 1.059 1.00 42.91 C ATOM 1286 O ASP B 136 -36.165 0.832 0.123 1.00 43.76 O ATOM 1287 CB ASP B 136 -37.338 1.966 3.421 1.00 51.96 C ATOM 1288 CG ASP B 136 -37.057 0.705 4.239 1.00 59.03 C ATOM 1289 OD1 ASP B 136 -35.869 0.454 4.555 1.00 61.53 O ATOM 1290 OD2 ASP B 136 -38.017 -0.032 4.569 1.00 64.22 O ATOM 1291 H ASP B 136 -35.512 3.955 1.733 1.00 0.00 H ATOM 1292 N ASP B 137 -38.093 0.464 1.166 1.00 44.21 N ATOM 1293 CA ASP B 137 -38.585 -0.454 0.136 1.00 45.28 C ATOM 1294 C ASP B 137 -39.581 0.227 -0.793 1.00 40.56 C ATOM 1295 O ASP B 137 -40.064 -0.377 -1.735 1.00 38.46 O ATOM 1296 CB ASP B 137 -39.199 -1.713 0.775 1.00 50.52 C ATOM 1297 CG ASP B 137 -38.131 -2.755 1.158 1.00 59.48 C ATOM 1298 OD1 ASP B 137 -37.420 -3.254 0.245 1.00 62.63 O ATOM 1299 OD2 ASP B 137 -37.989 -3.064 2.371 1.00 63.50 O ATOM 1300 H ASP B 137 -38.684 0.656 2.000 1.00 0.00 H ATOM 1301 N LEU B 138 -39.851 1.502 -0.550 1.00 38.38 N ATOM 1302 CA LEU B 138 -40.799 2.255 -1.357 1.00 36.19 C ATOM 1303 C LEU B 138 -40.131 2.844 -2.596 1.00 34.38 C ATOM 1304 O LEU B 138 -39.189 3.615 -2.487 1.00 30.17 O ATOM 1305 CB LEU B 138 -41.390 3.380 -0.519 1.00 36.67 C ATOM 1306 CG LEU B 138 -42.578 4.111 -1.133 1.00 37.33 C ATOM 1307 CD1 LEU B 138 -43.741 3.143 -1.338 1.00 36.94 C ATOM 1308 CD2 LEU B 138 -42.963 5.268 -0.228 1.00 36.70 C ATOM 1309 H LEU B 138 -39.371 1.978 0.241 1.00 0.00 H ATOM 1310 N LEU B 139 -40.624 2.466 -3.770 1.00 35.58 N ATOM 1311 CA LEU B 139 -40.022 2.885 -5.046 1.00 34.63 C ATOM 1312 C LEU B 139 -40.557 4.261 -5.449 1.00 33.08 C ATOM 1313 O LEU B 139 -41.730 4.427 -5.755 1.00 32.40 O ATOM 1314 CB LEU B 139 -40.302 1.849 -6.149 1.00 32.53 C ATOM 1315 CG LEU B 139 -39.914 2.233 -7.583 1.00 34.05 C ATOM 1316 CD1 LEU B 139 -38.439 2.559 -7.705 1.00 33.55 C ATOM 1317 CD2 LEU B 139 -40.279 1.110 -8.544 1.00 35.11 C ATOM 1318 H LEU B 139 -41.464 1.853 -3.788 1.00 0.00 H ATOM 1319 N VAL B 140 -39.683 5.247 -5.457 1.00 33.47 N ATOM 1320 CA VAL B 140 -40.092 6.612 -5.735 1.00 33.68 C ATOM 1321 C VAL B 140 -40.089 6.900 -7.225 1.00 35.20 C ATOM 1322 O VAL B 140 -40.989 7.552 -7.739 1.00 37.55 O ATOM 1323 CB VAL B 140 -39.153 7.592 -5.024 1.00 32.90 C ATOM 1324 CG1 VAL B 140 -39.465 9.029 -5.426 1.00 33.46 C ATOM 1325 CG2 VAL B 140 -39.256 7.393 -3.513 1.00 31.56 C ATOM 1326 H VAL B 140 -38.682 5.044 -5.261 1.00 0.00 H ATOM 1327 N SER B 141 -39.073 6.408 -7.919 1.00 35.92 N ATOM 1328 CA SER B 141 -38.810 6.850 -9.259 1.00 35.76 C ATOM 1329 C SER B 141 -37.903 5.857 -9.933 1.00 36.17 C ATOM 1330 O SER B 141 -37.099 5.209 -9.262 1.00 36.61 O ATOM 1331 CB SER B 141 -38.128 8.222 -9.212 1.00 37.94 C ATOM 1332 OG SER B 141 -37.557 8.570 -10.468 1.00 43.24 O ATOM 1333 HG SER B 141 -37.127 9.459 -10.399 1.00 0.00 H ATOM 1334 H SER B 141 -38.457 5.691 -7.486 1.00 0.00 H ATOM 1335 N THR B 142 -38.041 5.759 -11.259 1.00 36.34 N ATOM 1336 CA THR B 142 -37.171 4.953 -12.122 1.00 35.06 C ATOM 1337 C THR B 142 -36.756 5.772 -13.340 1.00 33.25 C ATOM 1338 O THR B 142 -37.620 6.287 -14.061 1.00 29.99 O ATOM 1339 CB THR B 142 -37.897 3.699 -12.629 1.00 35.86 C ATOM 1340 OG1 THR B 142 -38.382 2.954 -11.513 1.00 38.98 O ATOM 1341 CG2 THR B 142 -36.971 2.825 -13.435 1.00 36.45 C ATOM 1342 HG1 THR B 142 -38.851 2.144 -11.837 1.00 0.00 H ATOM 1343 H THR B 142 -38.815 6.289 -11.708 1.00 0.00 H ATOM 1344 N SER B 143 -35.446 5.875 -13.575 1.00 31.14 N ATOM 1345 CA SER B 143 -34.930 6.719 -14.635 1.00 31.25 C ATOM 1346 C SER B 143 -33.841 6.014 -15.456 1.00 33.29 C ATOM 1347 O SER B 143 -33.158 5.109 -14.945 1.00 32.30 O ATOM 1348 CB SER B 143 -34.428 8.038 -14.041 1.00 31.79 C ATOM 1349 OG SER B 143 -33.073 7.981 -13.629 1.00 31.48 O ATOM 1350 HG SER B 143 -32.806 8.858 -13.255 1.00 0.00 H ATOM 1351 H SER B 143 -34.780 5.337 -12.984 1.00 0.00 H ATOM 1352 N ARG B 144 -33.697 6.431 -16.723 1.00 33.67 N ATOM 1353 CA ARG B 144 -32.735 5.842 -17.668 1.00 35.37 C ATOM 1354 C ARG B 144 -31.780 6.877 -18.265 1.00 33.07 C ATOM 1355 O ARG B 144 -32.198 7.959 -18.648 1.00 32.79 O ATOM 1356 CB ARG B 144 -33.487 5.134 -18.788 1.00 39.79 C ATOM 1357 CG ARG B 144 -34.118 3.820 -18.332 1.00 46.04 C ATOM 1358 CD ARG B 144 -35.293 3.383 -19.197 1.00 50.91 C ATOM 1359 NE ARG B 144 -34.885 2.532 -20.317 1.00 58.73 N ATOM 1360 CZ ARG B 144 -34.492 2.954 -21.528 1.00 65.20 C ATOM 1361 NH1 ARG B 144 -34.423 4.253 -21.837 1.00 67.55 N ATOM 1362 NH2 ARG B 144 -34.156 2.054 -22.454 1.00 64.93 N ATOM 1363 HE ARG B 144 -34.902 1.504 -20.158 1.00 0.00 H ATOM 1364 HH12 ARG B 144 -34.114 4.546 -22.786 1.00 0.00 H ATOM 1365 HH11 ARG B 144 -34.678 4.970 -21.129 1.00 0.00 H ATOM 1366 HH22 ARG B 144 -33.850 2.368 -23.397 1.00 0.00 H ATOM 1367 HH21 ARG B 144 -34.201 1.039 -22.233 1.00 0.00 H ATOM 1368 H ARG B 144 -34.297 7.212 -17.055 1.00 0.00 H ATOM 1369 N VAL B 145 -30.496 6.549 -18.343 1.00 30.67 N ATOM 1370 CA VAL B 145 -29.521 7.420 -19.033 1.00 30.43 C ATOM 1371 C VAL B 145 -28.685 6.609 -20.022 1.00 29.37 C ATOM 1372 O VAL B 145 -28.017 5.645 -19.643 1.00 29.93 O ATOM 1373 CB VAL B 145 -28.552 8.135 -18.052 1.00 29.84 C ATOM 1374 CG1 VAL B 145 -27.658 9.106 -18.804 1.00 30.66 C ATOM 1375 CG2 VAL B 145 -29.322 8.910 -16.994 1.00 29.79 C ATOM 1376 H VAL B 145 -30.170 5.662 -17.910 1.00 0.00 H ATOM 1377 N ARG B 146 -28.707 7.008 -21.288 1.00 29.39 N ATOM 1378 CA ARG B 146 -27.855 6.385 -22.292 1.00 28.12 C ATOM 1379 C ARG B 146 -26.517 7.084 -22.268 1.00 27.15 C ATOM 1380 O ARG B 146 -26.462 8.323 -22.288 1.00 26.95 O ATOM 1381 CB ARG B 146 -28.478 6.478 -23.678 1.00 29.74 C ATOM 1382 CG ARG B 146 -27.722 5.657 -24.719 1.00 31.67 C ATOM 1383 CD ARG B 146 -28.363 5.696 -26.090 1.00 32.04 C ATOM 1384 NE ARG B 146 -29.699 5.115 -26.049 1.00 36.15 N ATOM 1385 CZ ARG B 146 -29.984 3.806 -26.048 1.00 39.61 C ATOM 1386 NH1 ARG B 146 -29.020 2.871 -26.073 1.00 39.27 N ATOM 1387 NH2 ARG B 146 -31.259 3.425 -26.008 1.00 40.31 N ATOM 1388 HE ARG B 146 -30.502 5.775 -26.018 1.00 0.00 H ATOM 1389 HH12 ARG B 146 -29.274 1.862 -26.071 1.00 0.00 H ATOM 1390 HH11 ARG B 146 -28.020 3.156 -26.094 1.00 0.00 H ATOM 1391 HH22 ARG B 146 -31.500 2.413 -26.007 1.00 0.00 H ATOM 1392 HH21 ARG B 146 -32.014 4.139 -25.978 1.00 0.00 H ATOM 1393 H ARG B 146 -29.345 7.780 -21.568 1.00 0.00 H ATOM 1394 N LEU B 147 -25.440 6.306 -22.195 1.00 26.74 N ATOM 1395 CA LEU B 147 -24.092 6.884 -22.180 1.00 27.90 C ATOM 1396 C LEU B 147 -23.398 6.783 -23.523 1.00 28.06 C ATOM 1397 O LEU B 147 -23.436 5.749 -24.179 1.00 26.33 O ATOM 1398 CB LEU B 147 -23.204 6.230 -21.125 1.00 27.96 C ATOM 1399 CG LEU B 147 -23.763 6.286 -19.707 1.00 29.62 C ATOM 1400 CD1 LEU B 147 -22.694 5.861 -18.711 1.00 29.60 C ATOM 1401 CD2 LEU B 147 -24.307 7.675 -19.388 1.00 29.72 C ATOM 1402 H LEU B 147 -25.556 5.274 -22.148 1.00 0.00 H ATOM 1403 N PHE B 148 -22.771 7.891 -23.905 1.00 28.50 N ATOM 1404 CA PHE B 148 -21.857 7.954 -25.025 1.00 28.89 C ATOM 1405 C PHE B 148 -20.505 8.232 -24.433 1.00 28.25 C ATOM 1406 O PHE B 148 -20.397 8.998 -23.486 1.00 27.16 O ATOM 1407 CB PHE B 148 -22.299 9.057 -25.983 1.00 29.13 C ATOM 1408 CG PHE B 148 -23.724 8.894 -26.417 1.00 30.58 C ATOM 1409 CD1 PHE B 148 -24.060 7.949 -27.386 1.00 29.15 C ATOM 1410 CD2 PHE B 148 -24.746 9.613 -25.805 1.00 33.22 C ATOM 1411 CE1 PHE B 148 -25.371 7.762 -27.775 1.00 28.62 C ATOM 1412 CE2 PHE B 148 -26.078 9.415 -26.187 1.00 33.87 C ATOM 1413 CZ PHE B 148 -26.383 8.483 -27.174 1.00 30.87 C ATOM 1414 H PHE B 148 -22.948 8.764 -23.368 1.00 0.00 H ATOM 1415 N TYR B 149 -19.489 7.573 -24.965 1.00 28.83 N ATOM 1416 CA TYR B 149 -18.133 7.746 -24.491 1.00 31.06 C ATOM 1417 C TYR B 149 -17.333 8.469 -25.565 1.00 32.65 C ATOM 1418 O TYR B 149 -17.231 7.977 -26.686 1.00 33.57 O ATOM 1419 CB TYR B 149 -17.517 6.388 -24.179 1.00 31.93 C ATOM 1420 CG TYR B 149 -18.263 5.614 -23.121 1.00 31.01 C ATOM 1421 CD1 TYR B 149 -18.018 5.841 -21.762 1.00 31.22 C ATOM 1422 CD2 TYR B 149 -19.213 4.648 -23.473 1.00 30.97 C ATOM 1423 CE1 TYR B 149 -18.706 5.132 -20.780 1.00 31.08 C ATOM 1424 CE2 TYR B 149 -19.904 3.933 -22.502 1.00 30.08 C ATOM 1425 CZ TYR B 149 -19.644 4.173 -21.160 1.00 29.82 C ATOM 1426 OH TYR B 149 -20.316 3.466 -20.196 1.00 30.21 O ATOM 1427 HH TYR B 149 -20.012 3.760 -19.301 1.00 0.00 H ATOM 1428 H TYR B 149 -19.670 6.911 -25.747 1.00 0.00 H ATOM 1429 N VAL B 150 -16.773 9.626 -25.217 1.00 35.22 N ATOM 1430 CA VAL B 150 -16.210 10.558 -26.200 1.00 39.33 C ATOM 1431 C VAL B 150 -14.746 10.950 -25.952 1.00 42.77 C ATOM 1432 O VAL B 150 -14.168 10.660 -24.892 1.00 48.57 O ATOM 1433 CB VAL B 150 -17.069 11.838 -26.274 1.00 40.65 C ATOM 1434 CG1 VAL B 150 -18.526 11.463 -26.491 1.00 39.78 C ATOM 1435 CG2 VAL B 150 -16.920 12.686 -25.013 1.00 40.29 C ATOM 1436 H VAL B 150 -16.733 9.879 -24.209 1.00 0.00 H TER 1437 VAL B 150 HETATM 1438 O HOH 1 -35.767 8.571 -17.302 1.00 53.82 O HETATM 1439 O HOH 2 -11.554 3.949 -22.211 1.00 42.54 O HETATM 1440 O HOH 3 -21.834 -6.145 -28.900 1.00 43.80 O HETATM 1441 O HOH 4 -37.230 20.074 -4.112 1.00 64.44 O HETATM 1442 O HOH 5 -42.459 14.770 4.528 1.00 20.65 O HETATM 1443 O HOH 6 -31.930 -0.343 -11.206 1.00 42.30 O HETATM 1444 O HOH 7 -29.782 0.523 -2.290 1.00 34.44 O HETATM 1445 O HOH 8 -24.122 -0.924 -31.693 1.00 35.23 O HETATM 1446 O HOH 9 -25.324 10.534 4.125 1.00 42.24 O HETATM 1447 O HOH 10 -25.826 20.098 1.718 1.00 47.47 O HETATM 1448 O HOH 11 -19.032 17.447 -18.161 1.00 62.31 O HETATM 1449 O HOH 12 -23.160 15.238 -20.935 1.00 67.26 O HETATM 1450 O HOH 13 -44.097 17.544 -2.720 1.00 37.52 O HETATM 1451 O HOH 14 -30.667 22.558 3.606 1.00 37.57 O HETATM 1452 O HOH 15 -29.283 -0.239 -25.285 1.00 66.07 O HETATM 1453 O HOH 16 -29.328 8.106 8.735 1.00 30.13 O HETATM 1454 O HOH 17 -41.078 6.855 -11.913 1.00 74.67 O HETATM 1455 O HOH 18 -27.736 5.458 -29.212 1.00 75.54 O HETATM 1456 O HOH 19 -22.845 4.914 -0.509 1.00 27.75 O HETATM 1457 O HOH 20 -25.869 -7.684 -12.602 1.00 38.89 O HETATM 1458 O HOH 21 -48.846 12.651 0.000 1.00 31.30 O HETATM 1459 O HOH 22 -19.988 0.078 -5.955 1.00 42.25 O HETATM 1460 CAK V A 98 -16.066 2.869 -12.882 1.00 -0.01 C HETATM 1461 CAL V A 98 -14.896 2.007 -12.445 1.00 -0.03 C HETATM 1462 NAM V A 98 -14.086 1.727 -13.658 1.00 0.23 N HETATM 1463 CAN V A 98 -14.829 0.983 -14.698 1.00 -0.03 C HETATM 1464 CAO V A 98 -16.037 1.797 -15.166 1.00 -0.01 C HETATM 1465 CAJ V A 98 -16.917 2.153 -13.949 1.00 -0.01 C HETATM 1466 CAI V A 98 -18.055 3.083 -14.302 1.00 0.04 C HETATM 1467 NAH V A 98 -18.633 2.782 -15.647 1.00 -0.22 N HETATM 1468 CAA V A 98 -19.790 1.865 -15.600 1.00 0.06 C HETATM 1469 CAB V A 98 -19.571 0.705 -16.363 1.00 -0.02 C HETATM 1470 CAC V A 98 -19.400 -0.546 -15.750 1.00 -0.06 C HETATM 1471 CAD V A 98 -19.200 -1.702 -16.518 1.00 -0.07 C HETATM 1472 CAE V A 98 -19.182 -1.619 -17.901 1.00 -0.07 C HETATM 1473 CAF V A 98 -19.368 -0.383 -18.510 1.00 -0.07 C HETATM 1474 CAG V A 98 -19.570 0.769 -17.753 1.00 -0.06 C HETATM 1475 H20 V A 98 -19.727 1.720 -18.249 1.00 0.06 H HETATM 1476 H19 V A 98 -19.356 -0.315 -19.592 1.00 0.06 H HETATM 1477 H18 V A 98 -19.025 -2.508 -18.501 1.00 0.06 H HETATM 1478 H17 V A 98 -19.060 -2.660 -16.030 1.00 0.06 H HETATM 1479 H16 V A 98 -19.423 -0.620 -14.669 1.00 0.06 H HETATM 1480 H14 V A 98 -20.674 2.388 -15.993 1.00 0.06 H HETATM 1481 H15 V A 98 -19.971 1.574 -14.555 1.00 0.06 H HETATM 1482 SAP V A 98 -19.070 4.330 -16.353 1.00 0.07 S HETATM 1483 OAQ V A 98 -19.705 4.146 -17.733 1.00 -0.15 O HETATM 1484 OAR V A 98 -17.831 5.197 -16.466 1.00 -0.15 O HETATM 1485 CAS V A 98 -20.265 5.176 -15.318 1.00 0.11 C HETATM 1486 CAX V A 98 -19.863 6.201 -14.456 1.00 -0.03 C HETATM 1487 CAW V A 98 -20.805 6.851 -13.653 1.00 -0.03 C HETATM 1488 CAV V A 98 -22.150 6.482 -13.720 1.00 0.11 C HETATM 1489 CAU V A 98 -22.549 5.458 -14.574 1.00 -0.03 C HETATM 1490 CAT V A 98 -21.613 4.812 -15.370 1.00 -0.03 C HETATM 1491 H23 V A 98 -21.930 4.019 -16.037 1.00 0.06 H HETATM 1492 H24 V A 98 -23.592 5.165 -14.618 1.00 0.06 H HETATM 1493 SAY V A 98 -23.323 7.299 -12.757 1.00 0.07 S HETATM 1494 OAZ V A 98 -22.597 8.068 -11.663 1.00 -0.15 O HETATM 1495 OBA V A 98 -24.218 6.265 -12.085 1.00 -0.15 O HETATM 1496 NBB V A 98 -24.365 8.518 -13.689 1.00 -0.22 N HETATM 1497 CBE V A 98 -23.956 9.142 -14.971 1.00 0.04 C HETATM 1498 CBF V A 98 -22.594 8.818 -15.458 1.00 -0.03 C HETATM 1499 CBG V A 98 -22.490 9.914 -16.545 1.00 -0.05 C HETATM 1500 CBH V A 98 -23.388 11.068 -16.115 1.00 -0.05 C HETATM 1501 CBI V A 98 -23.920 10.640 -14.788 1.00 -0.03 C HETATM 1502 H32 V A 98 -23.247 10.932 -13.968 1.00 0.03 H HETATM 1503 H33 V A 98 -24.924 11.050 -14.602 1.00 0.03 H HETATM 1504 H30 V A 98 -24.207 11.215 -16.835 1.00 0.03 H HETATM 1505 H31 V A 98 -22.810 11.999 -16.022 1.00 0.03 H HETATM 1506 H28 V A 98 -22.827 9.516 -17.514 1.00 0.03 H HETATM 1507 H29 V A 98 -21.449 10.260 -16.632 1.00 0.03 H HETATM 1508 H26 V A 98 -22.532 7.804 -15.881 1.00 0.03 H HETATM 1509 H27 V A 98 -21.832 8.935 -14.674 1.00 0.03 H HETATM 1510 H25 V A 98 -24.691 8.860 -15.740 1.00 0.05 H HETATM 1511 CBC V A 98 -25.746 8.036 -13.911 1.00 0.06 C HETATM 1512 CBD V A 98 -26.624 8.606 -13.014 1.00 -0.02 C HETATM 1513 CBJ V A 98 -27.977 8.561 -13.313 1.00 -0.06 C HETATM 1514 CBK V A 98 -28.900 9.100 -12.433 1.00 -0.05 C HETATM 1515 CBL V A 98 -28.443 9.675 -11.262 1.00 0.03 C HETATM 1516 CL V A 98 -29.517 10.330 -10.207 1.00 -0.08 CL HETATM 1517 CBM V A 98 -27.095 9.718 -10.952 1.00 -0.05 C HETATM 1518 CBN V A 98 -26.175 9.185 -11.830 1.00 -0.06 C HETATM 1519 H39 V A 98 -25.116 9.216 -11.601 1.00 0.06 H HETATM 1520 H38 V A 98 -26.764 10.169 -10.023 1.00 0.06 H HETATM 1521 H37 V A 98 -29.960 9.072 -12.658 1.00 0.06 H HETATM 1522 H36 V A 98 -28.312 8.103 -14.237 1.00 0.06 H HETATM 1523 H34 V A 98 -25.768 6.943 -13.789 1.00 0.06 H HETATM 1524 H35 V A 98 -26.057 8.298 -14.933 1.00 0.06 H HETATM 1525 H22 V A 98 -20.492 7.640 -12.979 1.00 0.06 H HETATM 1526 H21 V A 98 -18.820 6.492 -14.410 1.00 0.06 H HETATM 1527 H12 V A 98 -17.681 4.117 -14.301 1.00 0.05 H HETATM 1528 H13 V A 98 -18.846 2.978 -13.545 1.00 0.05 H HETATM 1529 H11 V A 98 -17.329 1.223 -13.531 1.00 0.03 H HETATM 1530 H9 V A 98 -16.624 1.204 -15.883 1.00 0.03 H HETATM 1531 H10 V A 98 -15.691 2.721 -15.652 1.00 0.03 H HETATM 1532 H7 V A 98 -15.175 0.025 -14.283 1.00 0.08 H HETATM 1533 H8 V A 98 -14.165 0.793 -15.554 1.00 0.08 H HETATM 1534 H5 V A 98 -13.282 1.182 -13.387 1.00 0.20 H HETATM 1535 H6 V A 98 -13.781 2.605 -14.049 1.00 0.20 H HETATM 1536 H3 V A 98 -15.262 1.065 -12.010 1.00 0.08 H HETATM 1537 H4 V A 98 -14.289 2.543 -11.701 1.00 0.08 H HETATM 1538 H1 V A 98 -15.681 3.810 -13.302 1.00 0.03 H HETATM 1539 H2 V A 98 -16.697 3.088 -12.008 1.00 0.03 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1109 1110 1117 1118 1119 CONECT 1117 1109 CONECT 1118 1109 CONECT 1119 1109 CONECT 1460 1461 1465 1538 1539 CONECT 1461 1460 1462 1536 1537 CONECT 1462 1461 1463 1534 1535 CONECT 1463 1462 1464 1532 1533 CONECT 1464 1463 1465 1530 1531 CONECT 1465 1460 1464 1466 1529 CONECT 1466 1465 1467 1527 1528 CONECT 1467 1466 1468 1482 CONECT 1468 1467 1469 1480 1481 CONECT 1469 1468 1470 1474 CONECT 1470 1469 1471 1479 CONECT 1471 1470 1472 1478 CONECT 1472 1471 1473 1477 CONECT 1473 1472 1474 1476 CONECT 1474 1469 1473 1475 CONECT 1475 1474 CONECT 1476 1473 CONECT 1477 1472 CONECT 1478 1471 CONECT 1479 1470 CONECT 1480 1468 CONECT 1481 1468 CONECT 1482 1467 1483 1484 1485 CONECT 1483 1482 CONECT 1484 1482 CONECT 1485 1482 1486 1490 CONECT 1486 1485 1487 1526 CONECT 1487 1486 1488 1525 CONECT 1488 1487 1489 1493 CONECT 1489 1488 1490 1492 CONECT 1490 1485 1489 1491 CONECT 1491 1490 CONECT 1492 1489 CONECT 1493 1488 1494 1495 1496 CONECT 1494 1493 CONECT 1495 1493 CONECT 1496 1493 1497 1511 CONECT 1497 1496 1498 1501 1510 CONECT 1498 1497 1499 1508 1509 CONECT 1499 1498 1500 1506 1507 CONECT 1500 1499 1501 1504 1505 CONECT 1501 1497 1500 1502 1503 CONECT 1502 1501 CONECT 1503 1501 CONECT 1504 1500 CONECT 1505 1500 CONECT 1506 1499 CONECT 1507 1499 CONECT 1508 1498 CONECT 1509 1498 CONECT 1510 1497 CONECT 1511 1496 1512 1523 1524 CONECT 1512 1511 1513 1518 CONECT 1513 1512 1514 1522 CONECT 1514 1513 1515 1521 CONECT 1515 1514 1516 1517 CONECT 1516 1515 CONECT 1517 1515 1518 1520 CONECT 1518 1512 1517 1519 CONECT 1519 1518 CONECT 1520 1517 CONECT 1521 1514 CONECT 1522 1513 CONECT 1523 1511 CONECT 1524 1511 CONECT 1525 1487 CONECT 1526 1486 CONECT 1527 1466 CONECT 1528 1466 CONECT 1529 1465 CONECT 1530 1464 CONECT 1531 1464 CONECT 1532 1463 CONECT 1533 1463 CONECT 1534 1462 CONECT 1535 1462 CONECT 1536 1461 CONECT 1537 1461 CONECT 1538 1460 CONECT 1539 1460 MASTER 0 0 0 0 0 0 0 0 1537 2 88 12 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5ml8
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Ligand Name
V98
EC.Number
E.C.-.-.-.-
Resolution
2.6(Å)
Affinity (Kd/Ki/IC50)
Kd=8nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Angew. Chem. Int. Ed. Engl. Vol. 56: pp. 2423-2428
Ligand Properties
Formula
C
3
1
H
3
9
ClN
3
O
4
S
2
Molecular Weight
617.242
Exact Mass
616.207
No. of atoms
80
No. of bonds
84
Polar Surface Area
108.13
LOGP Value
5.42 (
Computed with XLOGP3
)
8.37 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 5
Canonical SMILES
Clc1ccc(cc1)CN(S(=O)(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)CC1CC[NH2+]CC1)C1CCCC1
InChI String
InChI=1S/C31H38ClN3O4S2/c32-28-12-10-26(11-13-28)24-35(29-8-4-5-9-29)41(38,39)31-16-14-30(15-17-31)40(36,37)34(22-25-6-2-1-3-7-25)23-27-18-20-33-21-19-27/h1-3,6-7,10-17,27,29,33H,4-5,8-9,18-24H2/p+1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O43924
Entrez Gene ID
NCBI Entrez Gene ID:
5147
ASD
Information of known allosteric effects of PDB entries
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